Author: "R. Kass" - Searchworks@Jio Institute Digital Library Search Results

Your search keyword '"R. Kass"' showing total 1,148 results

Start Over Author "R. Kass"

1,148 results on '"R. Kass"'

51. H/D exchange pathways: Flip-flop and relay processes

Author: Dana R. Reed, Steven R. Kass, and Zhixin Tian
Subjects: chemistry.chemical_classification, Proton, Stereochemistry, Carboxylic acid, Alcohol, Condensed Matter Physics, chemistry.chemical_compound, Reaction rate constant, chemistry, Deuterium, Reagent, Physical chemistry, Hydrogen–deuterium exchange, Physical and Theoretical Chemistry, Instrumentation, Spectroscopy
Abstract: Hydrogen–deuterium exchange reactions of 16 small rigid anions were examined using D 2 O, CH 3 OD, CH 3 CO 2 D, and (CF 3 ) 2 C(CH 3 )OD. Bimolecular rate constants and extensive computations are reported. These deuterated reagents were used because D 2 O and CH 3 OD are weak acids that cannot react via sequential deuteron/proton transfers (i.e., the conventional H/D exchange mechanism of DePuy et al.) with the selected anions, and they provide a means to probe alternative pathways. The relative acidity of CH 3 CO 2 D and (CF 3 ) 2 C(CH 3 )OD was measured (ΔΔ H acid ° = 1.1 ± 0.8 kcal mol −1 ) and their thermodynamic similarity but structural differences (i.e., the presence of a C O in the carboxylic acid but not the alcohol) were exploited to systematically investigate flip-flop and relay mechanisms. This has led to a number of generalizations relating to the occurrence of these pathways.
Published: 2015

52. Reprint of 'Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or 'merely' nonaromatic?'

Author: Victor M.F. Morais, Joel F. Liebman, Lev G Lis, Margarida S. Miranda, Steven R. Kass, M. Agostinha R. Matos, and Alireza Fattahi
Subjects: Proton, Indenone, Condensed Matter Physics, Mass spectrometry, Affinities, Standard enthalpy of formation, Ion, chemistry.chemical_compound, chemistry, Computational chemistry, Ionization, Physical and Theoretical Chemistry, Instrumentation, Spectroscopy, Antiaromaticity
Abstract: The heat of hydrogenation of indenone was measured via two partially independent thermodynamic cycles by carrying out energetic measurements (i.e., electron affinities, proton affinities and ionization potentials) on both negative and positive ions (ΔH°H2 = 17.8 ± 5.5 and 17.5 ± 5.7 kcal mol−1, respectively). High level G3 computations were also carried out to provide the heats of formation of indenone (16.8 kcal mol−1) and cyclopentadienone (14.0 kcal mol−1). These 4n π electron systems are found to be nonaromatic in contrast to previous views. A recent report on cyclopropenyl anion (J. Org. Chem. 2013, 78, 7370–7372) indicates that this ion is also nonaromatic, and suggests that NMR ring currents and nucleus independent chemical shift (NICS) calculations do not correlate with the energetic criterion for antiaromatic compounds.
Published: 2015

53. Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene

Author: Yigang He, David M. Lemal, Rolf Gleiter, Jerry P. Jasinski, Joshua R. Smith, Christopher P. Junk, Steven R. Kass, and Yin Zhang
Subjects: chemistry.chemical_classification, Hydrocarbon, Electron diffraction, chemistry, Alkene, Yield (chemistry), Electron affinity, Organic Chemistry, Halogenation, Photochemistry, Ene reaction, Adduct
Abstract: The title fluoroalkene has been generated by dehalogenation of dibromide and diiodide precursors and trapped in situ. retro-Diels-Alder reaction of its adduct with N-benzylpyrrole has made the alkene available in high yield and purity. In sharp contrast to its extremely labile hydrocarbon counterpart, the fluoroalkene is very stable yet highly reactive. Its characterization includes its electron affinity, photoelectron spectrum, and the previously reported structure determination by electron diffraction.
Published: 2015

54. Stereoelectronic effects: a simple yet powerful tool to manipulate anion affinity

Author: Alireza Fattahi, Steven R. Kass, and Masoud Samet
Subjects: Anions, Acetonitriles, Molecular Structure, Stereochemistry, Hydrogen bond, Organic Chemistry, Diol, Infrared spectroscopy, Hydrogen Bonding, Stereoisomerism, Alcohol, Ether, Biochemistry, Ion, Quaternary Ammonium Compounds, chemistry.chemical_compound, Dipole, chemistry, Computational chemistry, Intramolecular force, Physical and Theoretical Chemistry, Ethers
Abstract: Different strategies are employed in designing strong and selective anion receptors but stereoelectronic effects have been largely ignored. In this work, the stereo configuration of a non-interacting ether is found to have a large impact of more than two orders of magnitude on the binding of a rigid diol with tetrabutylammonium chloride in acetonitrile-d3. A favorable carbon–oxygen dipole and an intramolecular C–H⋯OH hydrogen bond in an equatorially substituted ether is found to be energetically more important than a stabilizing hydrogen bond in the corresponding axially oriented alcohol. IR spectroscopy is also used to probe the structures of the bound complexes and several binding motifs are identified.
Published: 2015

55. Selective binding and extraction of aqueous dihydrogen phosphate solutions via three-armed thiourea receptors

Author: Steven R. Kass and Evgeny V. Beletskiy
Subjects: chemistry.chemical_classification, Chloroform, Aqueous solution, Molecular Structure, Dibasic acid, Hydrogen bond, Organic Chemistry, Extraction (chemistry), Inorganic chemistry, Thiourea, Water, Salt (chemistry), Hydrogen Bonding, Acetates, Phosphate, Biochemistry, Phosphates, Quaternary Ammonium Compounds, chemistry.chemical_compound, chemistry, Physical and Theoretical Chemistry, Nuclear chemistry
Abstract: A series of neutral anion receptors with one to three thiourea arms were synthesized and their binding to tetrabutylammonium chloride, acetate, and dihydrogen phosphate salts in aqueous DMSO mixtures was examined. The three-armed thiourea host was found to strongly and selectively bind H2PO4(-) even in DMSO solutions containing up to 30% water. This enabled the dihydrogen phosphate salt to be extracted from water into chloroform in its dibasic form despite the high heat of the hydration of HPO4(2-).
Published: 2015

56. Anion A– • HX Clusters with Reduced Electron Binding Energies: Proton vs Hydrogen Atom Relocation upon Electron Detachment

Author: Xue-Bin Wang and Steven R. Kass
Subjects: Chemistry, Hydrogen bond, Binding energy, General Chemistry, Hydrogen atom, Electron, Biochemistry, Catalysis, Ion, Crystallography, Colloid and Surface Chemistry, X-ray photoelectron spectroscopy, Molecule, Atomic physics, Adiabatic process
Abstract: Clustering an anion with one or more neutral molecules is a stabilizing process that enhances the oxidation potential of the complex relative to the free ion. Several hydrogen bond clusters (i.e., A(-) • HX, where A(-) = H2PO4(-) and CF3CO2(-) and HX = MeOH, PhOH, and Me2NOH or Et2NOH) are examined by photoelectron spectroscopy and M06-2X and CCSD(T) computations. Remarkably, these species are experimentally found to have adiabatic detachment energies that are smaller than those for the free ion and reductions of 0.47 to 1.87 eV are predicted computationally. Hydrogen atom and proton transfers upon vertical photodetachment are two limiting extremes on the neutral surface in a continuum of mechanistic pathways that account for these results, and the whole gamut of possibilities are predicted to occur.
Published: 2014

57. Leading a Worthy Life : Finding Meaning in Modern Times

Author: Leon R. Kass and Leon R. Kass
Subjects: Meaning (Philosophy), Life
Abstract: Most American young people, like their ancestors, harbor desires for a worthy life: a life of meaning, a life that makes sense. But they are increasingly confused about what such a life might look like, and how they might, in the present age, be able to live one. With a once confident culture no longer offering authoritative guidance, the young are now at sea—regarding work, family, religion, and civic identity. The true, the good, and the beautiful have few defenders, and the higher cynicism mocks any innocent love of wisdom or love of country. We are supercompetent regarding efficiency and convenience; we are at a loss regarding what it's all for.Yet because the old orthodoxies have crumbled, our “interesting time” paradoxically offers genuine opportunities for renewal and growth. The old Socratic question “How to live?” suddenly commands serious attention. Young Americans, if liberated from the prevailing cynicism, will readily embrace weighty questions and undertake serious quests for a flourishing life. All they (and we) need is encouragement.This book provides that necessary encouragement by illuminating crucial—and still available—aspects of a worthy life, and by defending them against their enemies. With chapters on love, family, and friendship; human excellence and human dignity; teaching, learning, and truth; and the great human aspirations of Western civilization, it offers help to both secular and religious readers, to people who are looking on their own for meaning and to people who are looking to deepen what they have been taught or to square it with the spirit of our times.
Published: 2017

58. THE FOLLIES OF FREEDOM AND REASON

Author: LEON R. KASS
Published: 2017

59. Diamond detectors for high energy physics experiments

Author: Felix Bachmair, L. Uplegger, V. Bellini, Eric Lukosi, M. Traeger, Bin Gui, Ettore Vittone, Arianna Morozzi, A. Lo Giudice, Stefania Spagnolo, Igor Mandić, N. Venturi, Gregor Kramberger, K. K. Gan, S. M. Spanier, Andrea Scorzoni, Jing Wang, Joel Goldstein, Moritz Guthoff, Ana Lacoste, Michal Pomorski, V. Belyaev, Martin Hoeferkamp, D. Sanz, Marko Mikuž, D. Chren, Andreas Alexopoulos, R. Perrino, C. Hutton, R. Mountain, Florian Kassel, C. Giroletti, Steve Schnetzer, Denis Dauvergne, T. Hofmann, K. Kanxheri, Matevz Cerv, James Beacham, Jens Weingarten, Michael Reichmann, E. Berdermann, Fabian Hügging, Renato Potenza, Joern Grosse-Knetter, Jacopo Forneris, C. Maazouzi, Federico Picollo, J.-M. Brom, Giulio Tiziano Forcolin, Anne Dabrowski, W. Trischuk, Gilles Claus, Sally Seidel, Christian Dorfer, Daniele Passeri, Raffaello D'Alessandro, M. Zavrtanik, Dominique Tromson, R. Kass, Stefano Lagomarsino, C. Weiss, Kevin Stenson, Gabriele Chiodini, A. C. Taylor, Lukas Bäni, A. Bes, Mauro Menichelli, Thorsten Wengler, Miha Muskinja, Rainer Wallny, I. Haughton, J. Collot, Aidan Grummer, Silvio Sciortino, Benjamin Bordy Tannenwald, Mara Bruzzi, Helge Christoph Beck, H. Frais-Kölbl, Vladimir Cindro, J-Y. Hostachy, M. Yamouni, Harris Kagan, Robert Stone, S. Smith, Shaun Roe, Dmitry Hits, Marc Dünser, M.-L. Gallin-Martel, V. K. Eremin, C. M. Sutera, M. Kis, V. Sopko, Ricardo Eusebi, Grant Riley, Heinz Pernegger, Alexander Oh, Philippe Bergonzo, J. Hosslet, M. Goffe, Arnulf Quadt, C.J. Schmidt, Jens Janssen, Bojan Hiti, Norbert Wermes, A. A. Golubev, Sergey Kuleshov, P. Oliviero, Douglas Schaefer, H. Jansen, Stephen Robert Wagner, Marina Artuso, Alessandra Re, B. Bentele, Josh Moss, C. Mathieu, L. Servoli, Cristina Tuve, V. Konovalov, Andrej Gorišek, Gregor Kasieczka, B. Sopko, L. Gallin-Martel, M. Bartosik, E. Grigoriev, John Perry Cumalat, S. Murphy, W. De Boer, J. J. Velthuis, M. Gastal, Monica Scaringella, Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Laboratoire de Physique Subatomique et de Cosmologie (LPSC), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Institut Polytechnique de Grenoble - Grenoble Institute of Technology-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), Institut Pluridisciplinaire Hubert Curien (IPHC), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), RD42, Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Departement Physik [ETH Zürich] (D-PHYS), Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), CERN [Genève], Syracuse University, Departement Erdwissenschaften [ETH Zürich] (D-ERDW), Ohio State University [Columbus] (OSU), Georg-August-University = Georg-August-Universität Göttingen, Istituto Nazionale di Fisica Nucleare, Sezione di Catania (INFN), Università degli studi di Catania = University of Catania (Unict), Moscow State Engineering Physics Institute (MEPhI), University of Colorado [Boulder], GSI Helmholtzzentrum für Schwerionenforschung (GSI), Laboratoire Capteurs Diamant (LCD-LIST), Département Métrologie Instrumentation & Information (DM2I), Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Istituto Nazionale di Fisica Nucleare, Sezione di Firenze (INFN, Sezione di Firenze), Istituto Nazionale di Fisica Nucleare (INFN), Istituto Nazionale di Fisica Nucleare, Sezione di Lecce (INFN, Sezione di Lecce), Czech Technical University in Prague (CTU), Jozef Stefan Institute [Ljubljana] (IJS), Universität Karlsruhe (TH), A.F. Ioffe Physical-Technical Institute, Russian Academy of Sciences [Moscow] (RAS), Texas A&M University System, University of Manchester [Manchester], Università degli studi di Torino = University of Turin (UNITO), Fachhochschule Wiener Neustadt (FWT), University of Bristol [Bristol], University of Toronto, Institute of Theoretical and Experimental Physics [Moscow] (ITEP), National Research Center 'Kurchatov Institute' (NRC KI), The University of New Mexico [Albuquerque], Universität Bonn = University of Bonn, Istituto Nazionale di Fisica Nucleare, Sezione di Perugia (INFN, Sezione di Perugia), The University of Tennessee [Knoxville], Rutgers University System (Rutgers), Laboratoire Capteurs et Architectures Electroniques (LCAE), and Fermi National Accelerator Laboratory (Fermilab)
Subjects: Materials science, Physics::Instrumentation and Detectors, Chemical vapor deposition, engineering.material, 01 natural sciences, Signal, Diamond Detectors, sensor, Particle tracking detectors, 0103 physical sciences, Irradiation, [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], Solid state detectors, 010306 general physics, Mathematical Physics, instrumentation, Range (particle radiation), Luminosity (scattering theory), detector, 010308 nuclear & particles physics, business.industry, Diamond, engineering, Optoelectronics, Particle, poly-crystalline diamond, business, Beam (structure), Radiation-hard detectors, Instrumentation, Chemical Vapor Deposition (CVD)
Abstract: 11th International Conference on Position Sensitive Detectors (PSD11),3–8 sept. 2017, The Open University, Milton Keynes, UK.; International audience; Beam test results of the radiation tolerance study of chemical vapour deposition (CVD) diamond against different particle species and energies is presented. We also present beam test results on the independence of signal size on incident particle rate in charged particle detectors based on un-irradiated and irradiated poly-crystalline CVD diamond over a range of particle fluxes from 2 kHz/cm2 to 10 MHz/cm2. The pulse height of the sensors was measured with readout electronics with a peaking time of 6 ns. In addition functionality of poly-crystalline CVD diamond 3D devices was demonstrated in beam tests and 3D diamond detectors are shown to be a promising technology for applications in future high luminosity experiments.
Published: 2017

60. A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability

Author: Masoud Samet, Xue-Bin Wang, and Steven R. Kass
Subjects: Anions, Fluorocarbons, Magnetic Resonance Spectroscopy, Trifluoromethyl, Molecular Structure, Hydrogen bond, Photoelectron Spectroscopy, Inorganic chemistry, Temperature, Hydrogen Bonding, Chloride, Spectral line, Hydrocarbons, Brominated, Ion, chemistry.chemical_compound, Crystallography, Chlorides, Models, Chemical, chemistry, Cluster (physics), medicine, Computer Simulation, Physical and Theoretical Chemistry, Conjugate, medicine.drug
Abstract: Rigid tricyclic locked in all axial 1,3,5-cyclohexanetriol derivatives with 0-3 trifluoromethyl groups were synthesized and photoelectron spectra of their conjugate bases and chloride anion clusters are reported along with density functional computations. The resulting vertical and adiabatic detachment energies span 4.07-5.50 eV (VDE) and 3.75-5.00 (ADE) for the former ions and 5.60-6.23 eV (VDE) and 5.36-6.00 eV (ADE) for the latter species. These results provide measures of the anion stabilization due to the hydrogen bond network and inductive effects. The latter mechanism is found to be transmitted through space via hydrogen bonds, and the presence of three ring skeleton oxygen atoms and up to three trifluoromethyl groups enhance the ADEs by 1.61-2.88 eV for the conjugate bases and 1.01-1.60 eV for the chloride anion clusters. Computations indicate that the most favorable structures of the latter complexes have two hydrogen bonds to the chloride anion and one bifurcated interaction between the remote OH substituent and the two hydroxyl groups that directly bind to Cl(-).
Published: 2014

61. Molecular recognition: preparation and characterization of two tripodal anion receptors

Author: Steven R. Kass, Xue-Bin Wang, Alireza Shokri, and S. H.M. Deng
Subjects: chemistry.chemical_compound, Molecular recognition, X-ray photoelectron spectroscopy, Hydrogen bond, Chemistry, Intramolecular force, Organic Chemistry, Inorganic chemistry, Triol, Receptor, Binding constant, Medicinal chemistry, Ion
Abstract: Two new tripodal hydroxyl-based anion receptors (1 and 2) are reported and their 1:1 molecular complexes with Cl−, H2PO4−, and OAc− along with the (M − 1)− ion of 1 were characterized by negative ion photoelectron spectroscopy in the gas phase and by binding constant determinations in four solvents (i.e., CDCl3, CD2Cl2, CD3COCD3, and CD3CN). An intramolecular hydrogen bond network (HBN) in hexaol 1 was found to diminish its binding whereas the triol 2 is the strongest aliphatic hydroxyl-based receptor to date.
Published: 2014

62. Optimization of Technological Regimes of Germination of Triticale Grain of Asiada Variety

Author: R. Kassymbek, A. I. Iztaev, U. Chomanov, G. E. Zhumaliyeva, and A. K. Shoman
Subjects: sprouted grain, optimization, sprouts, time, temperature, crude protein, asiada variety, Technology (General), T1-995
Abstract: The research is devoted to the technological modes of germination of triticale grain of the Asiada variety, as well as factors affecting the germination of grain. The purpose of the study is the influence of technological modes of germination of triticale grain of the Asiada variety. In the article, studies have been carried out and regression equations have been obtained describing the dependences of the indicated quality indicators of the germination modes of triticale grain of the Asiada variety on the factors influencing them tв, τ, w and tз To optimize the technological modes of processing Asiada grain, the crude protein content was chosen as the target function. Optimization of the processing modes of triticale grain of the Asiada variety was carried out by the method of nonlinear programming. The following optimal technological modes of grain processing were obtained: water temperature tb = 15 °C; germination time τ = 72 h; grain moisture w = 13%; grain temperature tz = 10 °C. With these optimal grain processing modes, the target function was 19.11%. The practical significance of the technology for the production of compound feeds using sprouted triticale grain in order to improve quality and increase shelf life.
Published: 2022
Full Text: View/download PDF

63. Mars One: Humanity's Next Great Adventure : Inside the First Human Settlement on Mars

Author: Norbert Kraft, James R Kass, Norbert Kraft, and James R Kass
Subjects: Electronic books
Abstract: Human curiosity has led us to explore our solar system, landing on the moon and sending spacecraft to study distant planetary objects.The next step in our great adventure is putting humans on Mars, but what will it really take to achieve this?In 2011, Mars One announced its intentions to establish a permanent human settlement on Mars beginning as early as 2024; in 2013 it launched its astronaut-selection program and received thousands of applications. The highly anticipated Mars One documentary series will provide a window into the captivating details of the crew selection and training process, allowing the whole world to follow along as Mars'first settlers prepare for their mission.Now, with Mars One: Humanity's Next Great Adventure, you can step even further inside the experience of these astronaut pioneers and explore the various human dimensions of Mars One's planned expeditions. Edited by Norbert Kraft, MD, Mars One's Chief Medical Officer and head of crew selection and training, as well as crew selection and training committee members James R. Kass, PhD, and Raye Kass, PhD, this collection of essays from scientists, psychologists, and more provides a behind-the-scenes look at the process and criteria used to choose candidates, fascinating details about what they'll learn, and predictions about their future lives on Mars.Inside, you'll find in-depth discussions of:The essential skills and training the Mars One astronauts will need to journey to and then survive on Mars, from technical and medical know-how to the interpersonal skills necessary for working in confined quarters so far from homeThe challenges of going through the selection and training process while being watched by millions around the world, and what Mars One hopes watching the process will mean for viewers at homeInside information, including images, on the planned Mars One habitats and colonization timelineWhat settlers can expect on Mars, from daily work activities in a hostile environment to communication with Earth and options for leisure timeThe book also includes excerpts from candidate questionnaires, allowing readers to enter the minds of prospective Martians like never before.
Published: 2016

64. Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and An Alternative to the Low Barrier Hydrogen-Bond Proposal

Author: Xue-Bin Wang, Alireza Shokri, Steven R. Kass, George A. O'Doherty, and Yanping Wang
Subjects: chemistry.chemical_classification, Base (chemistry), Hydrogen bond, Inorganic chemistry, Low-barrier hydrogen bond, General Chemistry, Biochemistry, Catalysis, Enzyme catalysis, Crystallography, chemistry.chemical_compound, Colloid and Surface Chemistry, Solvation shell, chemistry, Covalent bond, Protein folding, Benzene
Abstract: We report quantifying the strengths of different types of hydrogen bonds in hydrogen-bond networks (HBNs) via measurement of the adiabatic electron detachment energy of the conjugate base of a small covalent polyol model compound (i.e., (HOCH2CH2CH(OH)CH2)2CHOH) in the gas phase and the pKa of the corresponding acid in DMSO. The latter result reveals that the hydrogen bonds to the charged center and those that are one solvation shell further away (i.e., primary and secondary) provide 5.3 and 2.5 pKa units of stabilization per hydrogen bond in DMSO. Computations indicate that these energies increase to 8.4 and 3.9 pKa units in benzene and that the total stabilizations are 16 (DMSO) and 25 (benzene) pKa units. Calculations on a larger linear heptaol (i.e., (HOCH2CH2CH(OH)CH2CH(OH)CH2)2CHOH) reveal that the terminal hydroxyl groups each contribute 0.6 pKa units of stabilization in DMSO and 1.1 pKa units in benzene. All of these results taken together indicate that the presence of a charged center can provide a powerful energetic driving force for enzyme catalysis and conformational changes such as in protein folding due to multiple hydrogen bonds in a HBN.
Published: 2013

65. Electrostatically Defying Cation–Cation Clusters: Can Likes Attract in a Low-Polarity Environment?

Author: Alireza Shokri, Alireza Fattahi, Steven R. Kass, and Marzieh Ramezani
Subjects: chemistry.chemical_classification, Exothermic reaction, Quantitative Biology::Biomolecules, Hydrogen bond, Endothermic process, Polarizable continuum model, Dissociation (chemistry), Solvent, chemistry, Chemical physics, Molecule, Organic chemistry, Physics::Chemical Physics, Physical and Theoretical Chemistry, Counterion
Abstract: Like-charge ion pairing is commonly observed in protein structures and plays a significant role in biochemical processes. Density functional calculations combined with the conductor-like polarizable continuum model were employed to study the formation possibilities of doubly charged noncovalently linked complexes of a series of model compounds and amino acids in the gas phase and in solution. Hydrogen bond interactions were found to offset the Coulombic repulsion such that cation-cation clusters are minima on the potential energy surfaces and neither counterions nor solvent molecules are needed to hold them together. In the gas phase the dissociation energies are exothermic, and the separation barriers span from 1.7 to 15.6 kcal mol(-1). Liquid-phase computations indicate that the separation enthalpies of the cation-cation complexes become endothermic in water and nonpolar solvents with dielectric constants of ≥7 (i.e., the value for THF). These results reveal that electrostatically defying noncovalent complexes of like-charged ions can overcome their Coulombic repulsion even in low-polarity environments.
Published: 2013

66. Carbanions in the Gas Phase

Author: Zhixin Tian and Steven R. Kass
Subjects: Collision-induced dissociation, Chemistry, Inorganic chemistry, Hydrogen–deuterium exchange, General Chemistry, Photochemistry, Bond-dissociation energy, Carbanion, Ultraviolet photoelectron spectroscopy, Gas phase
Published: 2013

67. Zwitterion vs Neutral Structures of Amino Acids Stabilized by a Negatively Charged Site: Infrared Photodissociation and Computations of Proline–Chloride Anion

Author: Steven R. Kass and Jacob Schmidt
Subjects: Anions, Molecular Structure, Proline, Spectrophotometry, Infrared, Chemistry, Photodissociation, Photochemical Processes, Photochemistry, Kinetic energy, Chloride, Ion, chemistry.chemical_compound, Chlorides, Fragmentation (mass spectrometry), Zwitterion, Potential energy surface, medicine, Quantum Theory, Amino Acids, Physical and Theoretical Chemistry, Monte Carlo Method, Conformational isomerism, medicine.drug
Abstract: Infrared photodissociation (IRPD) spectra are reported for a proline-chloride anion cluster along with its d2- and d7-isotopomers. The spectral data indicate that proline is in its neutral form as opposed to a zwitterion, and computations are in agreement in that some neutral conformers are energetically low-lying and reproduce the observed spectra. Zwitterionic conformers are predicted to be essentially as stable as the neutral ones and should be significantly populated; however, there is no evidence for these structures in the IRPD spectra. An exploration of the potential energy surface for the loss of chloride anion, the observed fragmentation channel, reveals that it is 8.4 kcal mol(-1) more difficult to break apart the zwitterionic cluster ion. This is a reflection of the 15.8 kcal mol(-1) estimate for the gaseous proline zwitterion-neutral energy difference. Kinetic results suggest the presence of two photolabile populations in similar amounts (i.e., 56 vs 44%). The more abundant structure is also the more labile species, and the neutral form of proline is assigned to this cluster ion. The less abundant and slower fragmenting structure consequently is zwitterionic. As originally suggested by Evans et al. in general, it appears that in this instance both spectral and kinetic data are needed to determine the structure of the proline-chloride anion cluster.
Published: 2013

68. Anion Binding of One-, Two-, and Three-Armed Thiourea Receptors Examined via Photoelectron Spectroscopy and Quantum Computations

Author: Evgeny V. Beletskiy, Steven R. Kass, and Xue-Bin Wang
Subjects: Aqueous solution, 010405 organic chemistry, Hydrogen bond, Chemistry, Inorganic chemistry, Cooperative binding, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Crystallography, Deprotonation, X-ray photoelectron spectroscopy, Thiourea, Density functional theory, Physical and Theoretical Chemistry, Anion binding
Abstract: Benzene rings substituted with 1–3 thiourea containing arms (1–3) were examined by photoelectron spectroscopy and density functional theory computations. Their conjugate bases and chloride, acetate, and dihydrogen phosphate anion clusters are reported. The resulting vertical and adiabatic detachment energies span 3.93–5.82 eV (VDE) and 3.65–5.10 (ADE) for the deprotonated species and 4.88–5.97 eV (VDE) and 4.45–5.60 eV (ADE) for the anion complexes. These results reveal the stabilizing effects of multiple hydrogen bonds and anionic host–guest interactions in the gas phase. Previously measured equilibrium binding constants in aqueous dimethyl sulfoxide for all three thioureas are compared to the present results, and cooperative binding is uniformly observed in the gas phase but only for one case (i.e., 3·H2PO4–) in solution.
Published: 2016

69. Phenylcyclopropane Energetics and Characterization of Its Conjugate Base: Phenyl Substituent Effects and the C-H Bond Dissociation Energy of Cyclopropane

Author: Alireza Fattahi, Lev G Lis, and Steven R. Kass
Subjects: 010304 chemical physics, Stereochemistry, Organic Chemistry, Substituent, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Bond-dissociation energy, 0104 chemical sciences, Cyclopropane, chemistry.chemical_compound, Deprotonation, chemistry, Electron affinity, Ionization, Amide, 0103 physical sciences, Ionization energy
Abstract: The α-C–H bond dissociation energy (BDE) of phenylcyclopropane (1) was experimentally determined using Hess’ law. An equilibrium acidity determination of 1 afforded ΔH°acid = 389.1 ± 0.8 kcal mol–1, and isotopic labeling established that the α-position of the three-membered ring is the favored deprotonation site. Interestingly, the structure of the base proved to be a key factor in correctly determining the proper ionization site (i.e., secondary amide ions are needed, and primary ones and OH– lead to incorrect conclusions since they scramble the deuterium label). An experimental measurement of the electron affinity of 1-phenylcyclopropyl radical (EA = 17.5 ± 2.8 kcal mol–1) was combined with the ionization energy of hydrogen (313.6 kcal mol–1) to afford BDE = 93.0 ± 2.9 kcal mol–1. This enabled the effect of the phenyl substituent to be evaluated and compared to other situations where it is attached to an sp3- or sp2-hybridized carbon center. M06-2X, CCSD(T), G4, and W1BD computations were also carried o...
Published: 2016

70. Hadronic mass moments in inclusive semileptonic B meson decays

Author: D. Cronin-Hennessy, A. L. Lyon, S. Roberts, E. H. Thorndike, T. E. Coan, V. Fadeyev, Y. S. Gao, Y. Maravin, I. Narsky, R. Stroynowski, J. Ye, T. Wlodek, M. Artuso, K. Benslama, C. Boulahouache, K. Bukin, E. Dambasuren, G. Majumder, R. Mountain, T. Skwarnicki, S. Stone, J. C. Wang, A. Wolf, S. Kopp, M. Kostin, A. H. Mahmood, S. E. Csorna, I. Danko, K. W. McLean, Z. Xu, R. Godang, G. Bonvicini, D. Cinabro, M. Dubrovin, S. McGee, G. J. Zhou, A. Bornheim, E. Lipeles, S. P. Pappas, A. Shapiro, W. M. Sun, A. J. Weinstein, D. E. Jaffe, R. Mahapatra, G. Masek, H. P. Paar, D. M. Asner, A. Eppich, T. S. Hill, R. J. Morrison, R. A. Briere, G. P. Chen, T. Ferguson, H. Vogel, J. P. Alexander, C. Bebek, B. E. Berger, K. Berkelman, F. Blanc, V. Boisvert, D. G. Cassel, P. S. Drell, J. E. Duboscq, K. M. Ecklund, R. Ehrlich, P. Gaidarev, L. Gibbons, B. Gittelman, S. W. Gray, D. L. Hartill, B. K. Heltsley, L. Hsu, C. D. Jones, J. Kandaswamy, D. L. Kreinick, M. Lohner, A. Magerkurth, T. O. Meyer, N. B. Mistry, E. Nordberg, M. Palmer, J. R. Patterson, D. Peterson, D. Riley, A. Romano, H. Schwarthoff, J. G. Thayer, D. Urner, B. Valant-Spaight, G. Viehhauser, A. Warburton, P. Avery, C. Prescott, A. I. Rubiera, H. Stoeck, J. Yelton, G. Brandenburg, A. Ershov, D. Y.-J. Kim, R. Wilson, T. Bergfeld, B. I. Eisenstein, J. Ernst, G. E. Gladding, G. D. Gollin, R. M. Hans, E. Johnson, I. Karliner, M. A. Marsh, C. Plager, C. Sedlack, M. Selen, J. J. Thaler, J. Williams, K. W. Edwards, A. J. Sadoff, R. Ammar, A. Bean, D. Besson, X. Zhao, S. Anderson, V. V. Frolov, Y. Kubota, S. J. Lee, R. Poling, A. Smith, C. J. Stepaniak, J. Urheim, S. Ahmed, M. S. Alam, S. B. Athar, L. Jian, L. Ling, M. Saleem, S. Timm, F. Wappler, A. Anastassov, E. Eckhart, K. K. Gan, C. Gwon, T. Hart, K. Honscheid, D. Hufnagel, H. Kagan, R. Kass, T. K. Pedlar, J. B. Thayer, E. von Toerne, M. M. Zoeller, S. J. Richichi, H. Severini, P. Skubic, A. Undrus, V. Savinov, S. Chen, J. W. Hinson, J. Lee, D. H. Miller, V. Pavlunin, E. I. Shibata, and I. P. J. Shipsey
Subjects: Physics, Particle physics, Electron–positron annihilation, Hadron, High Energy Physics::Phenomenology, General Physics and Astronomy, FOS: Physical sciences, Photon energy, Lambda, High Energy Physics - Experiment, Nuclear physics, Renormalization, High Energy Physics - Experiment (hep-ex), D meson, B meson, High Energy Physics::Experiment, Nuclear Experiment, Lepton
Abstract: We have measured the first and second moments of the hadronic mass-squared distribution in B -> X_c l nu, for P(lepton) > 1.5 GeV/c. We find = 0.251 +- 0.066 GeV^2, < (M_X^2 -)^2 > = 0.576 +- 0.170 GeV^4, where M_D[Bar] is the spin-averaged D meson mass. From that first moment and the first moment of the photon energy spectrum in b -> s gamma, we find the HQET parameter lambda_1 (MS[Bar], to order 1/M^3 and beta_0 alpha_s^2) to be -0.24 +- 0.11 GeV^2. Using these first moments and the B semileptonic width, and assuming parton-hadron duality, we obtain |V_cb| = 0.0404 +- 0.0013., Comment: 11 pages postscript, also available through http://w4.lns.cornell.edu/public/CLNS, submitted to PRL
Published: 2016

71. Studies of the Cabibbo-suppressed decays D+ → π0ℓ+v and D+ → ηe+ve

Author: J. Bartelt, S.E. Csorna, V. Jain, S. Marka, A. Freyberger, R. Godang, K. Kinoshita, I.C. Lai, P. Pomianowski, S. Schrenk, G. Bonvicini, D. Cinabro, R. Greene, L.P. Perera, G.J. Zhou, B. Barish, M. Chadha, S. Chan, G. Eigen, J.S. Miller, C. O'Grady, M. Schmidtler, J. Urheim, A.J. Weinstein, F. Würthwein, D.M. Asner, D.W. Bliss, W.S. Brower, G. Masek, H.P. Paar, V. Sharma, J. Gronberg, T.S. Hill, R. Kutschke, D.J. Lange, S. Menary, R.J. Morrison, H.N. Nelson, T.K. Nelson, C. Qiao, J.D. Richman, D. Roberts, A. Ryd, M.S. Witherell, R. Balest, B.H. Behrens, K. Cho, W.T. Ford, H. Park, P. Rankin, J. Roy, J.G. Smith, J.P. Alexander, C. Bebek, B.E. Berger, K. Berkelman, K. Bloom, D.G. Cassel, H.A. Cho, D.M. Coffman, D.S. Crowcroft, M. Dickson, P.S. Drell, K.M. Ecklund, R. Ehrlich, R. Elia, A.D. Foland, P. Gaidarev, B. Gittelman, S.W. Gray, D.L. Hartill, B.K. Heltsley, P.I. Hopman, J. Kandaswamy, N. Katayama, P.C. Kim, D.L. Kreinick, T. Lee, Y. Liu, G.S. Ludwig, J. Masui, J. Mevissen, N.B. Mistry, C.R. Ng, E. Nordberg, M. Ogg, J.R. Patterson, D. Peterson, D. Riley, A. Soffer, C. Ward, M. Athanas, P. Avery, C.D. Jones, M. Lohner, C. Prescott, J. Yelton, J. Zheng, G. Brandenburg, R.A. Briere, Y.S. Gao, D.Y.-J. Kim, R. Wilson, H. Yamamoto, T.E. Browder, F. Li, Y. Li, J.L. Rodriguez, T. Bergfeld, B.I. Eisenstein, J. Ernst, G.E. Gladding, G.D. Gollin, R.M. Hans, E. Johnson, I. Karliner, M.A. Marsh, M. Palmer, M. Selen, J.J. Thaler, K.W. Edwards, A. Bellerive, R. Janicek, D.B. MacFarlane, K.W. McLean, P.M. Patel, A.J. Sadoff, R. Ammar, P. Baringer, A. Bean, D. Besson, D. Coppage, C. Darling, R. Davis, N. Hancock, S. Kotov, I. Kravchenko, N. Kwak, D. Smith, S. Anderson, Y. Kubota, M. Lattery, S.J. Lee, J.J. O'Neill, S. Patton, R. Poling, T. Riehle, V. Savinov, A. Smith, M.S. Alam, S.B. Athar, Z. Ling, A.H. Mahmood, H. Severini, S. Timm, F. Wappler, A. Anastassov, S. Blinov, J.E. Duboscq, K.D. Fisher, D. Fujino, R. Fulton, K.K. Gan, T. Hart, K. Honscheid, H. Kagan, R. Kass, J. Lee, M.B. Spencer, M. Sung, A. Undrus, R. Wanke, A. Wolf, M.M. Zoeller, B. Nemati, S.J. Richichi, W.R. Ross, P. Skubic, M. Wood, M. Bishai, J. Fast, E. Gerndt, J.W. Hinson, N. Menon, D.H. Miller, E.I. Shibata, I.P.J. Shipsey, M. Yurko, L. Gibbons, S.D. Johnson, Y. Kwon, S. Roberts, E.H. Thorndike, C.P. Jessop, K. Lingel, H. Marsiske, M.L. Perl, S.F. Schaffner, D. Ugolini, R. Wang, X. Zhou, T.E. Coan, V. Fadeyev, I. Korolkov, Y. Maravin, I. Narsky, V. Shelkov, J. Staeck, R. Stroynowski, I. Volobouev, J. Ye, M. Artuso, A. Efimov, F. Frasconi, M. Gao, M. Goldberg, D. He, S. Kopp, G.C. Moneti, R. Mountain, S. Schuh, T. Skwarnicki, S. Stone, G. Viehhauser, and X. Xing
Subjects: Physics, Nuclear and High Energy Physics, Particle physics, Unitarity, 010308 nuclear & particles physics, Branching fraction, 0103 physical sciences, Pi, 010306 general physics, 01 natural sciences, Bar (unit)
Abstract: Using 4.8 fb$^{-1}$ of data taken with the CLEO II detector, the branching fraction for the Cabibbo-suppressed decay $D^+\to\pi^0\ell^+\nu$ measured relative to the Cabibbo favored decay $D^+\to\bar{K^0}\ell^+\nu$ is found to be $0.046\pm 0.014\pm 0.017$. Using $V_{cs}$ and $V_{cd}$ from unitarity constraints, we determine $| f_+^{\pi}(0)/f_+^K(0)|^2=0.9\pm 0.3\pm 0.3$ We also present a 90% confidence level upper limit for the branching ratio of the decay $D^+ \to \eta e^+\nu_e$ relative to that for $D^+ \to \pi^0 e^+\nu_e$ of 1.5.
Published: 2016

72. Electrostatically Enhanced Thioureas

Author: Steven R. Kass and Yang Fan
Subjects: Molecular Structure, 010405 organic chemistry, Hydrogen bond, Chemistry, Orders of magnitude (temperature), Organic Chemistry, Thiourea, Hydrogen Bonding, 010402 general chemistry, 01 natural sciences, Biochemistry, Combinatorial chemistry, Catalysis, 0104 chemical sciences, chemistry.chemical_compound, Molecule, Physical and Theoretical Chemistry
Abstract: A new class of readily prepared thiourea catalysts with one or more positively charged centers and no new hydrogen-bonding sites are exploited in several bond-forming reactions and are orders of magnitude more reactive than Schreiner's thiourea. These findings provide the basis for a new strategy for activating hydrogen-bond catalysts.
Published: 2016

73. Diamond Particle Detectors for High Energy Physics

Author: Florian Kassel, M. Goffe, Lars Graber, Gregor Kasieczka, Norbert Wermes, Paolo Olivero, Fabian Hügging, Renato Potenza, Ana Lacoste, V. Sopko, N. C. McFadden, Marina Artuso, K. Kanxheri, M. Gastal, Daniele Passeri, Kevin Stenson, Heinz Pernegger, Alexander Oh, E. Grigoriev, T. Schreiner, R. Mountain, P. Weilhammer, R. Perrino, Anne Dabrowski, W. Trischuk, Sally Seidel, Thorsten Wengler, Gregor Kramberger, Harris Kagan, K. K. Gan, Nicola Venturi, G. McGoldrick, Ettore Vittone, Martin Hoeferkamp, Vladimir Cindro, S. Murphy, V. Eremin, T. Hofmann, Steve Schnetzer, Joern Grosse-Knetter, Salvatore Costa, William Trischuk, Arnulf Quadt, Dean Hidas, L. Servoli, Monica Scaringella, G. Parrini, C. Weiss, Robert Stone, M. Zavrtanik, V. Belyaev, Jaap Velthuis, Stefano Lagomarsino, Jens Weingarten, Gabriele Chiodini, Dominique Tromson, R. Kass, Anna Sfyrla, W. De Boer, A. C. Taylor, Andrej Gorišek, Alessandra Re, Rainer Wallny, D. Chren, Daniel Dobos, Andrea Scorzoni, Stefan M Spanier, Mauro Menichelli, Jacopo Forneris, Shaun Roe, Bernd Dehning, M. Bartosik, H. Frais-Kölbl, Grant Riley, S. Kuleshov, Federico Picollo, John Perry Cumalat, C. Maazouzi, J. Collot, G. Shimchuk, J.-M. Brom, Lorenzo Uplegger, C. Manfredotti, Raffaello D'Alessandro, Dmitry Hits, Mariusz Sapinski, Felix Bachmair, V. Bellini, Arianna Morozzi, Josh Moss, E. Berdermann, C. M. Sutera, C. Mathieu, Lukas Bäni, A. Lo Giudice, G. Forcolin, M. Kis, A. Bes, Ricardo Eusebi, Stefania Spagnolo, Laura Gonella, Michal Pomorski, Matevz Cerv, Cristina Tuve, Jens Janssen, Wojciech Dulinski, J. Y. Hostachy, I. Haughton, Philippe Bergonzo, A. A. Golubev, Joel Goldstein, Mara Bruzzi, J. Hosslet, Jing Wang, M. Yamouni, H. Jansen, Stephen Robert Wagner, Gilles Claus, M. Traeger, B. Bentele, Igor Mandić, Chav Chhiv Chau, Moritz Guthoff, B. Sopko, Silvio Sciortino, S. Smith, M. Pauluzzi, Marko Mikuž, University of Toronto, Syracuse University, Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), European Organization for Nuclear Research (CERN), University of Catania [Italy], The National Research Nuclear University MEPhI (Moscow Engineering Physics Institute) [Moscow, Russia], University of Colorado [Boulder], Helmholtz zentrum für Schwerionenforschung GmbH (GSI), Laboratoire Capteurs Diamant (LCD-LIST), Département Métrologie Instrumentation & Information (DM2I), Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Laboratoire de Physique Subatomique et de Cosmologie (LPSC), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Institut Pluridisciplinaire Hubert Curien (IPHC), Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Istituto Nazionale di Fisica Nucleare, Sezione di Firenze (INFN, Sezione di Firenze), Istituto Nazionale di Fisica Nucleare (INFN), Istituto Nazionale di Fisica Nucleare, Sezione di Lecce (INFN, Sezione di Lecce), Czech Technical University in Prague (CTU), Jozef Stefan Institute [Ljubljana] (IJS), Istituto Nazionale di Fisica Nucleare, Sezione di Catania (INFN), Università degli studi di Catania [Catania], University of Karlsruhe (TH), A.F. Ioffe Physical-Technical Institute, Russian Academy of Sciences [Moscow] (RAS), Texas A&M University [College Station], University of Manchester [Manchester], Università degli studi di Torino (UNITO), Ohio State University [Columbus] (OSU), University of Bristol [Bristol], Institute of Theoretical and Experimental Physics [Moscow] (ITEP), National Research Center 'Kurchatov Institute' (NRC KI), Rheinische Friedrich-Wilhelms-Universität Bonn, University of Göttingen - Georg-August-Universität Göttingen, Rutgers, The State University of New Jersey [New Brunswick] (RU), Rutgers University System (Rutgers), The University of New Mexico [Albuquerque], Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Università degli studi di Catania = University of Catania (Unict), Università degli studi di Torino = University of Turin (UNITO), and Georg-August-University = Georg-August-Universität Göttingen
Subjects: Particle physics, Nuclear and High Energy Physics, Particle detectors, 02 engineering and technology, engineering.material, Tracking (particle physics), 01 natural sciences, High energy physics, Precision tracking, Radiation tolerance, 0103 physical sciences, [PHYS.HEXP]Physics [physics]/High Energy Physics - Experiment [hep-ex], [PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det], Detectors and Experimental Techniques, 010302 applied physics, Physics, Large Hadron Collider, Luminosity (scattering theory), Pixel, business.industry, System of measurement, Detector, ATLAS experiment, Electrical engineering, Diamond, 021001 nanoscience & nanotechnology, engineering, 0210 nano-technology, business
Abstract: Proceedings of the 37 International Conference on High Energy Physics (ICHEP 2014), 2-9 July 2014, Valencia, Spain. Editors M. Aguilar-Benítez, J. Fuster, S. Martí-García, A. Santamaría.; International audience; Diamond devices have now become ubiquitous in the LHC experiments, finding applications in beam background monitoring and luminosity measuring systems. This sensor material is now maturing to the point that the large pads in existing diamond detectors are being replaced by highly granular tracking devices, in both pixel and strip configurations, for detector systems that will be used in Run II at the LHC and beyond. The RD42 collaboration has continued to seek out additional diamond manufacturers and quantify the limits of the radiation tolerance of this material. The ATLAS experiment has recently installed, and is now commissioning a fully-fledged pixel tracking detector system based on diamond sensors. Finally, RD42 has recently demonstrated the viability of 3D biased diamond sensors that can be operated at very low voltages with full charge collection. These proceedings describe all of these advances.
Published: 2016

74. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues

Author: Xue B. Wang, Evgeny V. Beletskiy, Jacob Schmidt, and Steven R. Kass
Subjects: Anions, Acetonitriles, Molecular Structure, Hydrogen bond, Inorganic chemistry, Low-barrier hydrogen bond, Hydrogen Bonding, Oxyanion, General Chemistry, Biochemistry, Catalysis, Oxygen, chemistry.chemical_compound, Crystallography, Colloid and Surface Chemistry, chemistry, Functional group, Thermodynamics, Oxyanion hole, Acetonitrile, Conformational isomerism
Abstract: Enzymes and their mimics use hydrogen bonds to catalyze chemical transformations. Small-molecule transition state analogues of oxyanion holes have been characterized by computations, gas-phase IR and photoelectron spectroscopy, and determination of their binding constants in acetonitrile. A new class of hydrogen bond catalysts is proposed (donors that can contribute three hydrogen bonds to a single functional group) and demonstrated in a Friedel-Crafts reaction. The employed catalyst was observed to react 100 times faster than its rotamer that can employ only two hydrogen bonds. The former compound also binds anions more tightly and was found to have a thermodynamic advantage.
Published: 2012

75. Experimental and Computational Bridgehead C–H Bond Dissociation Enthalpies

Author: Zahra Aliakbar Tehrani, Lev G Lis, Alireza Fattahi, Steven R. Kass, and Sudha Marimanikkuppam
Subjects: chemistry.chemical_classification, Heptane, Bicyclic molecule, Organic Chemistry, Medicinal chemistry, Dissociation (chemistry), Pentane, Hexane, chemistry.chemical_compound, chemistry, Organic chemistry, Nonane, Alkyl, Octane
Abstract: Bridgehead C-H bond dissociation enthalpies of 105.7 ± 2.0, 102.9 ± 1.7, and 102.4 ± 1.9 kcal mol(-1) for bicyclo[2.2.1]heptane, bicyclo[2.2.2]octane, and adamantane, respectively, were determined in the gas phase by making use of a thermodynamic cycle (i.e., BDE(R-H) = ΔH°(acid)(H-X) - IE(H(·)) + EA(X(·))). These results are in good accord with high-level G3 theory calculations, and the experimental values along with G3 predictions for bicyclo[1.1.1]pentane, bicyclo[2.1.1]hexane, bicyclo[3.1.1]heptane, and bicyclo[4.2.1]nonane were found to correlate with the flexibility of the ring system. Rare examples of alkyl anions in the gas phase are also provided.
Published: 2012

76. Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds

Author: Jacob Schmidt, Alireza Shokri, Steven R. Kass, and Xue-Bin Wang
Subjects: Molecular Structure, Hydrogen, Chemistry, Hydrogen bond, Low-barrier hydrogen bond, chemistry.chemical_element, Hydrogen Bonding, General Chemistry, Interaction energy, Photochemistry, Biochemistry, Catalysis, Ion, Colloid and Surface Chemistry, Deprotonation, Covalent bond, Alcohols, Quantum Theory, Physical chemistry
Abstract: Hydrogen bond interactions in small covalent model compounds (i.e., deprotonated polyhydroxy alcohols) were measured by negative ion photoelectron spectroscopy. The experimentally determined vertical and adiabatic electron detachment energies for (HOCH(2)CH(2))(2)CHO(-)(2a), (HOCH(2)CH(2))(3)CO(-) (3a), and (HOCH(2)CH(2)CH(OH)CH(2))(3)CO(-) (4a)reveal that hydrogen-bonded networks can provide enormous stabilizations and that a single charge center not only can be stabilized by up to three hydrogen bonds but also can increase the interaction energy between noncharged OH groups by 5.8 kcal mol(-1) or more per hydrogen bond. This can lead to pK(a) values that are very different from those in water and can provide some of the impetus for catalytic processes.
Published: 2012

77. STUDY OF THE CHEMICAL COMPOSITION OF FLOUR FROM DIFFERENT GRAIN TYPES OF TRITICALE FOR THE PURPOSE OF USE IN FLOUR CONFECTIONERY PRODUCTS

Author: G. E. ZHUMALIYEVA, U. CHOMANOV, G. S. AKTOKALOVA, and R. KASSYMBEK
Subjects: triticale, chemical composition of flour, flour, triticale varieties, Technology (General), T1-995
Abstract: The article discusses and studies new varieties of triticale, studied flour from new varieties of triticale for further use in flour confectionery. According to the data obtained, it is important to note that the chemical composition of triticale flour confirms its use in flour confectionery. In this paper, the Baru variety is selected, this variety will be used for the first time in Kazakhstan in the production of flour confectionery. The use of triticale in diets instead of wheat reduces the cost of the products obtained and increases the profitability of production.
Published: 2022
Full Text: View/download PDF

78. Gas-Phase Synthesis and Reactivity of Lithium Acetylide Ion, LiCC−

Author: Leo Radom, Matthew M. Meyer, Steven R. Kass, and Bun Chan
Subjects: Chemistry, Acetylide, Inorganic chemistry, chemistry.chemical_element, General Chemistry, Triple bond, Catalysis, Ion, Gas phase, Crystallography, chemistry.chemical_compound, Organolithium compounds, Reactivity (chemistry), Lithium, Carbanion
Published: 2010

79. Gas-Phase Synthesis and Reactivity of Lithium Acetylide Ion, LiCC−

Author: Matthew M. Meyer, Bun Chan, Leo Radom, and Steven R. Kass
Subjects: General Medicine
Published: 2010

80. Enolates in 3-D: An Experimental and Computational Study of Deprotonated 2-Adamantanone

Author: Steven R. Kass and Matthew M. Meyer
Subjects: chemistry.chemical_classification, Ketone, Deprotonation, Chemistry, Stereochemistry, Organic Chemistry, Enthalpy, Reactivity (chemistry), Density functional theory, Chemical synthesis, Medicinal chemistry, Conjugate, Ion
Abstract: Deprotonation of 2-adamantanone (1) in the gas phase affords the corresponding beta-enolate anion. This ion was independently prepared by the fluoride-induced desilylation of 4-trimethylsilyl-2-adamantanone, and its reactivity and thermodynamic properties were measured (DeltaH degrees(acid) = 394.7 +/- 1.4, EA = 16.8 +/- 1.6, and BDE = 97.9 +/- 2.1 kcal mol(-1)). Density functional theory calculations with B3LYP and M06-2X, and G3 energies are also reported. The computed relative stabilities of the conjugate bases of 1 are as follows: betagammaalphadelta. An attempt to prepare the gamma-anion, however, resulted in the formation of its ring-opened isomer (i.e., deprotonated 7-methylenebicyclo[3.3.1]nonan-2-one).
Published: 2010

81. Experimental and Theoretical Gas-Phase Acidities, Bond Dissociation Energies, and Heats of Formation of HClOx, x = 1−4

Author: Steven R. Kass and Matthew M. Meyer
Subjects: Deprotonation, Chemistry, Computational chemistry, Physical chemistry, Physical and Theoretical Chemistry, Bond-dissociation energy, Standard enthalpy of formation, Gas phase
Abstract: Gas-phase deprotonation enthalpies were measured for chloric and perchloric acids and found to be 313.2 +/- 3.3 and 299.9 +/- 5.7 kcal mol(-1), respectively. These values were combined with the previously reported electron affinities of ClO(3) and ClO(4) to obtain BDE(H-OClO(2)) = 97.6 +/- 4.0 kcal mol(-1) and BDE(H-OClO(3)) = 107.4 +/- 6.1 kcal mol(-1). These energetic determinations represent the first measurements of these quantities or extensive revisions of the currently available values. B3LYP, M06, M06-2X, G3, and G3B3 computations also were carried out to provide acidities, electron affinities, bond dissociation energies, and heats of formation via atomization energies for ClO(x) and HClO(x), where x = 1-4. All of the methods do a reasonable job for the first three thermodynamic quantities but only M06 does a satisfactory job for the heats of formation, and its performance is similar to the highly accurate but extremely time intensive W4 method.
Published: 2010

82. Single-Centered Hydrogen-Bonded Enhanced Acidity (SHEA) Acids: A New Class of Brønsted Acids

Author: Lev G Lis, Steven R. Kass, Alireza Fattahi, and Zhixin Tian
Subjects: chemistry.chemical_classification, Proton, Hydrogen, Hydrogen bond, Dimethyl sulfoxide, Biomolecule, chemistry.chemical_element, General Chemistry, Biochemistry, Catalysis, chemistry.chemical_compound, Colloid and Surface Chemistry, chemistry, Polymer chemistry, Nucleic acid, Organic chemistry, Brønsted–Lowry acid–base theory
Abstract: Hydrogen bonds are the dominant motif for organizing the three-dimensional structures of biomolecules such as carbohydrates, nucleic acids, and proteins, and serve as templates for proton transfer reactions. Computations, gas-phase acidity measurements, and pK(a) determinations in dimethyl sulfoxide on a series of polyols indicate that multiple hydrogen bonds to a single charged center lead to greatly enhanced acidities. A new class of Brønsted acids, consequently, is proposed.
Published: 2009

83. The Moral Fog of Progress - Fall 2003

Author: Gregory F. Treverton, Lester C. Thurow, Anthony Giddens, Leon R. Kass, Paul Wolfowitz, Lester R. Brown, Reza Pahlavi Ii, Condoleezza Rice, Jack Miles, Dora Bakoyannis, Sebastian Edwards, Pervez Musharraf, and Ahmed H. Zewail
Published: 2008

84. The Haiku and the Double Helix - Fall 2004

Author: Leon R. Kass, James D. Watson, Craig Venter, Norman Bourlag, Amory B. Lovins, Paul D. Boyer, Ian Wilmut, David Baltimore, Daniel Cohen, John Polanyi, Peter Sloterdijk, Munawar Anees, Alain Touraine, Gerald M. Edelman, James Hansen, Ilya Prigogine, Farida Faouzia Charfi, Piet Hut, Ahmed H. Zewail, Stephen Hawking, Jimmy Carter, Joshua Lederberg, Francis Fukuyama, Mario J. Molina, William A. Haseltine, Bill Joy, Daniel Cohn-Bendit, Jacques Attali, and Czesław Miłosz
Subjects: Physics, Crystallography, Helix, Haiku
Published: 2008

85. The (Super?) Human Roots of Law and Justice: Lessons from the Book of Genesis

Author: Leon R. Kass
Subjects: Law, Political science, Criminology, Economic Justice
Published: 2008

86. How Brave a New World?

Author: Leon R. Kass
Subjects: Sociology and Political Science, Political science, Media studies, General Social Sciences
Published: 2007

87. A redetermination of the heats of formation of chloro- and dichlorocarbene and the deprotonation of methyl cation, a spin forbidden process?

Author: Zhixin Tian and Steven R. Kass
Subjects: Condensed Matter Physics, Mass spectrometry, Photochemistry, Standard enthalpy of formation, Dichlorocarbene, chemistry.chemical_compound, symbols.namesake, Deprotonation, Fourier transform, chemistry, symbols, Physical chemistry, Physical and Theoretical Chemistry, Methylene, Spin (physics), Instrumentation, Spectroscopy
Abstract: The reactions of CH3 + ,C H 2Cl + and CHCl2 + with standard reference bases were examined in a dual cell Fourier transform mass spectrometer. Deprotonation of methyl cation occurs rapidly via a spin forbidden process to afford triplet methylene even when the reaction is nearly thermoneutral. Bracketing results enable us to assign PA(CHCl) = 209.7 ± 2.2 kcal mol −1 and PA(CCl2) = 205.2 ± 1.9 kcal mol −1 , the latter value of which is considerably larger than previous determinations. The resulting heats of formation, however, are in good accord with other measurements and lead to
Published: 2007

88. Search for τ-lepton decays to seven or more pions with BABAR

Author: R. Kass, R. Ter-Antonyan, and C. Hast
Subjects: Physics, Nuclear and High Energy Physics, Crystallography, Particle physics, Pion, Branching fraction, Atomic and Molecular Physics, and Optics, Lepton
Abstract: We report the results of searches for several decay modes of the {tau}-lepton with {ge} 7 pions in the final state using 207 x 10{sup 6} {tau}-pairs collected with the BaBar detector. For the decays with 7 charged pions in the final state we find the following 90% CL upper limits: B({tau}{sup -} {yields} 4{pi}{sup -}3{pi}{sup +}({pi}{sup 0}){nu}{sub {tau}}) < 3.0 x 10{sup -7}, B({tau}{sup -} {yields} 4{pi}{sup -}3{pi}{sup +}{nu}{sub {tau}}) < 4.3 x 10{sup -7} and B({tau}{sup -} {yields}) B({tau}{sup -} {yields} 4{pi}{sup -}3{pi}{sup +}{pi}{sup 0}{nu}{sub {tau}}) < 2.5 x 10{sup -7}. We also search for the decay {tau}{sup -} {yields} 3{pi}{sup -}2{pi}{sup +}2{pi}{sup 0}{nu}{sub {tau}} and report a 90% CL upper limit of < 3.4 x 10{sup -6} for its branching fraction. Finally, we search for the exclusive final state {tau}{sup -} {yields} 2{sigma}{pi}{sup -}{nu}{sub {tau}} and find a 90% CL upper limit for its branching fraction of < 5.4 x 10{sup -7}.
Published: 2007

89. Are Carboxyl Groups the Most Acidic Sites in Amino Acids? Gas-Phase Acidity, H/D Exchange Experiments, and Computations on Cysteine and Its Conjugate Base

Author: Anna Pawlow, John C. Poutsma, Steven R. Kass, and Zhixin Tian
Subjects: Spectrometry, Mass, Electrospray Ionization, Inorganic chemistry, Molecular Conformation, Ab initio, Mass spectrometry, Biochemistry, Mass Spectrometry, Catalysis, Colloid and Surface Chemistry, Deprotonation, Cysteine, Sulfhydryl Compounds, Amino Acids, Quadrupole ion trap, chemistry.chemical_classification, Fourier Analysis, Hydrogen Bonding, General Chemistry, Deuterium, Crystallography, chemistry, Thiol, Density functional theory, Gases, Acids, Benzyl Alcohol, Hydrogen, Conjugate
Abstract: Hydrogen-deuterium exchange experiments were carried out on the conjugate base of cysteine with four different deuterated alcohols. Three H/D exchanges are observed to take place in each case, and a relay mechanism which requires the SH and CO2H groups to have similar acidities and subsequently proceeds through a zwitterionic intermediate is proposed. Gas-phase acidity measurements also were carried out in a quadrupole ion trap using the extended kinetic method and in a Fourier transform mass spectrometer by an equilibrium determination. The results are in excellent accord with each other and high-level ab initio and density functional theory calculations and indicate that the side-chain thiol in cysteine is more acidic than the carboxyl group by 3.1 kcal mol-1. Deprotonated cysteine is thus predicted to be a thiolate ion. A zwitterionic species also was located on the potential energy surface, but it is energetically unfavorable (+10.1 kcal mol-1).
Published: 2007

90. Aggregation of Alkyllithiums in Tetrahydrofuran

Author: James D. Xidos, Jason D. Thompson, Christopher J. Cramer, Steven R. Kass, Donald G. Truhlar, and Lawrence M. Pratt
Subjects: Models, Molecular, Steric effects, Organic Chemistry, Solvation, Solvent, chemistry.chemical_compound, Models, Chemical, chemistry, Chemical physics, Lithium Compounds, Organometallic Compounds, Solvents, Thermodynamics, Organic chemistry, Molecule, Density functional theory, Physics::Chemical Physics, Furans, Tetrahydrofuran, Lithium atom, Group 2 organometallic chemistry
Abstract: Density functional theory was used to examine the solvation number and aggregation state of several alkyllithium compounds in clusters with tetrahydrofuran molecules coordinated to each lithium atom. We then made the microsolvation approximation and approximated the bulk free energy of solvation by the free energy of clustering with solvent molecules in the gas phase. The trends in the computed results are in reasonable agreement with the available experimental data.
Published: 2007

91. A 3D diamond detector for particle tracking

Author: F. Bachmair, L. Bäni, P. Bergonzo, B. Caylar, G. Forcolin, I. Haughton, D. Hits, H. Kagan, R. Kass, L. Li, A. Oh, S. Phan, M. Pomorski, D.S. Smith, V. Tyzhnevyi, R. Wallny, D. Whitehead, Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), Laboratoire Capteurs Diamant (LCD-LIST), Département Métrologie Instrumentation & Information (DM2I), Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, University of Manchester [Manchester], Ohio State University [Columbus] (OSU), Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA))
Subjects: Nuclear and High Energy Physics, Laser processing, CVD diamond, Particle detector, Graphitic miao-channels, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, 3D detector, Instrumentation, Graphitisation, [SPI.MAT]Engineering Sciences [physics]/Materials
Abstract: International audience; A novel device using single-crystal chemical vapour deposited diamond and resistive electrodes in the bulk forming a 3D diamond detector is presented. The electrodes of the device were fabricated with laser assisted phase change of diamond into a combination of diamond-like carbon, amorphous carbon and graphite. The connections to the electrodes of the device were made using a photo-lithographic process. The electrical and particle detection properties of the device were investigated. A prototype detector system consisting of the 3D device connected to a multi-channel readout was successfully tested with 120 GeV protons proving the feasibility of the 3D diamond detector concept for particle tracking applications for the first time.
Published: 2015

92. Charge-enhanced acidity and catalyst activation

Author: Jordan Buhle, Masoud Samet, Steven R. Kass, and Yunwen Zhou
Subjects: chemistry.chemical_classification, Chemistry, Inorganic chemistry, Infrared spectroscopy, Charge (physics), General Chemistry, Biochemistry, Catalysis, Orders of magnitude (entropy), chemistry.chemical_compound, Colloid and Surface Chemistry, Polar, Phenols, Counterion
Abstract: Acidities are commonly measured in polar solvents but catalytic reactions are typically carried out in nonpolar media. IR spectra of a series of phenols in CCl4 and 1% CD3CN/CCl4 provide relative acidities. Nonprotonated charged substituents with an appropriate counterion are found to enhance their Bronsted acidities and improve catalyst performance by orders of magnitude.
Published: 2015

93. Dalitz plot analyses ofB0→D−D0K+andB+→D¯0D0K+decays

Author: S. Passaggio, G. Calderini, Ray Franklin Cowan, T. Leddig, A. Soffer, A. Randle-Conde, N. Tasneem, J. Albert, B. Hamilton, I. M. Peruzzi, M. Franco Sevilla, P. C. Kim, E. O. Olaiya, T. Lueck, H. R. Band, D. G. Hitlin, James D. Olsen, C. Hast, L. T. Kerth, F. U. Bernlochner, E. Gabathuler, V. Prasad, R. Prepost, K. Griessinger, B. Spaan, R. J. Sobie, A. Roodman, Y. B. Pan, Brian Meadows, P. F. Harrison, A. M. Eisner, B. C. Wray, H. Neal, R. Kass, U. Uwer, G. Wormser, M. Verderi, C. Chen, M. Bomben, Alberto Lusiani, H. W. Wulsin, W. Panduro Vazquez, D. W G S Leith, J. Chauveau, S. Emery, R. Y. So, Z. C. Huard, R. Faccini, Dominik Müller, H. L. Lynch, R. Andreassen, V. E. Blinov, T. Adye, D. Bettoni, S. Prell, A. Beaulieu, D. Su, Roger Barlow, Biplab Dey, Fergus Wilson, J. R. Fry, A. Snyder, M. V. Purohit, D. S. Chao, T. Schroeder, R. de Sangro, R. Sacco, B. G. Pushpawela, P. Sonnek, A. Gaz, Denis Derkach, M. Biasini, C. Sciacca, A. J. Lankford, R. C. Field, H. Ahmed, R. M. White, A. Adametz, R. Cheaib, N. Guttman, M. Hess, C. Cartaro, S. L. Wu, R. Calabrese, Michael Sokoloff, Yu. I. Skovpen, L. Piemontese, R. Godang, J. L. Ritchie, R. Stroili, A. Calcaterra, S. H. Robertson, Alessandro Pilloni, P. R. Burchat, A. V. Gritsan, D. Gamba, A. G. Denig, B. N. Ratcliff, J. A. Ernst, Elisa Manoni, D. R. Peimer, K. Honscheid, D. J. Payne, W. J. Wisniewski, W. H. Toki, T. S. Mattison, S. Playfer, E. Paoloni, W. Gradl, D. Aston, M. Perl, S. Dittrich, L. Lanceri, M. J. Lee, M. Gaspero, Enrico Robutti, P. Ongmongkolkul, H. H. F. Choi, S. Pacetti, G. Sciolla, Sw. Banerjee, P. Roudeau, J. P. Coleman, R. Contri, J. Cochran, M. Ebert, F. Anulli, L. Li Gioi, R. Kowalewski, J. Va'Vra, C. Hearty, Marcello Rotondo, D. J. Lange, Matteo Rama, Gabriele Simi, E. Ben-Haim, James G. Smith, J. Ocariz, M. T. Graham, Yu. G. Kolomensky, W. S. Lockman, B. Echenard, A. Rossi, J. M. Roney, C. Touramanis, D. A. Roberts, N. Arnaud, F. Di Lodovico, O. Long, B. Oberhof, M. Margoni, F. Ferroni, M. J. Lewczuk, K. Yu. Todyshev, M. Davier, S. Luitz, K. R. Schubert, S. Martellotti, L. Vitale, Dmytro Kovalskyi, E. A. Kravchenko, Corrado Angelini, G. De Nardo, B. Malaescu, J. P. Lees, G. Piredda, D. J. Bard, B. Stugu, H. M. Lacker, G. J. King, V. P. Druzhinin, A. Filippi, G. Rizzo, L. Cremaldi, U. Mallik, M. Carpinelli, M. Röhrken, A. Seiden, D. Lopes Pegna, S. J. Sekula, A. Khan, J. W. Gary, D. Bernard, D. M. Wright, M. S. Alam, A. Oyanguren, C. Bozzi, P. Taras, E. P. Solodov, V. Poireau, S. I. Serednyakov, F. Palombo, T. Pulliam, G. Casarosa, Bruce Schumm, T. M. Hong, E. Fioravanti, J. Dorfan, Roland Waldi, Mauro Morandin, M. Piccolo, A. P. Onuchin, J. D. Richman, L. Sun, W. T. Ford, Alberto Cervelli, Timothy Gershon, J. M. Losecco, G. Marchiori, F. C. Porter, F. De Mori, Pablo Villanueva-Perez, D. N. Brown, M. R. Convery, A. M. Lutz, Nicola Neri, Adrian John Bevan, George Lafferty, C. P. Jessop, V. Santoro, Maurizio Martinelli, Simon Akar, V. Luth, G. A. Cowan, M. K. Sullivan, Christopher West, Ph Leruste, A. R. Buzykaev, G. Onorato, B. G. Fulsom, F. Simonetto, M. A. Giorgi, R. Ayad, G. Batignani, S. Bettarini, F. Bianchi, I. Garzia, I. M. Nugent, Oliver Grünberg, G. R. Bonneaud, G. Raven, Thomas Latham, C. Patrignani, V. Tisserand, G. P. Dubois-Felsmann, P. Patteri, H. Koch, G. Finocchiaro, W. Dunwoodie, S. M. Spanier, R. Gorodeisky, P. M. Patel, C. L. Davis, M. Fritsch, M. Simard, G. Lynch, G. Grosdidier, F. Ferrarotto, E. M. T. Puccio, A. Stocchi, Andrei Salnikov, D. B. Macfarlane, R. Cenci, Claudio Campagnari, Eleonora Luppi, D. J. Summers, B. Bhuyan, E. Grauges, F. Martinez-Vidal, J. J. Walsh, Sridhara Dasu, M. Posocco, K. T. Flood, G. Vasseur, V. B. Golubev, A. J S Smith, A. Palano, F. Le Diberder, M. Lo Vetere, A. Hafner, W. R. Innes, David Hutchcroft, F. Forti, C. Voß, Maria Roberta Monge, J. A. McKenna, S. R. Wagner, R. H. Schindler, A. Zallo, C. Bünger, A. Jawahery, G. Cibinetto, E. Feltresi, P. C. Bloom, C. H. Cheng, Marcin Chrzaszcz, Andrea Rodriguez Perez, H. Briand, X. C. Lou, D. Lindemann, G. Eigen, J. R. Wilson, T. S. Miyashita, J. M. Izen, M. Bellis, and R. F. Schwitters
Subjects: Nuclear physics, Physics, Nuclear and High Energy Physics, Meson, 010308 nuclear & particles physics, 0103 physical sciences, Resonance, Dalitz plot, Invariant mass, B meson, 010306 general physics, 01 natural sciences
Abstract: We present Dalitz plot analyses for the decays of B mesons to D^−D^0K^+ and D^0D^0K^+. We report the observation of the D^∗_(s1)(2700)^+ resonance in these two channels and obtain measurements of the mass M(D^∗_(s1)(2700)+)=2699^(+14)_(−7) MeV/c^2 and of the width Γ(D^∗_(s1)(2700)+)=127^(+24)_(−19) MeV, including statistical and systematic uncertainties. In addition, we observe an enhancement in the D^0K^+ invariant mass around 2350–2500 MeV/c^2 in both decays B^0→D^−D^0K^+ and B^+→D^0D^0K^+, which we are not able to interpret. The results are based on 429 fb^(−1) of data containing 471×10^6BB pairs collected at the Υ(4S) resonance with the BABAR detector at the SLAC National Accelerator Laboratory.
Published: 2015

94. Observation of the baryonic decayB¯0→Λc+p¯K−K+

Author: Elisa Manoni, J. P. Coleman, S. Playfer, Sw. Banerjee, Corrado Angelini, C. Hearty, Marcello Rotondo, D. Lopes Pegna, A. Khan, F. Di Lodovico, C. Bozzi, B. Oberhof, M. J. Lewczuk, A. M. Ruland, R. de Sangro, E. A. Kravchenko, D. Bernard, S. I. Serednyakov, F. Palombo, E. P. Solodov, Dmytro Kovalskyi, A. Filippi, G. Rizzo, Andrea Rodriguez Perez, J. P. Lees, R. J. Sobie, A. Roodman, R. Y. So, H. Briand, R. Andreassen, L. Li Gioi, Nicola Neri, T. Leddig, Timothy Gershon, Z. C. Huard, A. Oyanguren, X. C. Lou, G. Wormser, T. Pulliam, Yu. I. Skovpen, K. Honscheid, Maria Roberta Monge, Bruce Schumm, B. C. Wray, I. Garzia, H. R. Band, R. Gorodeisky, Thomas Latham, C. Patrignani, M. Simard, J. A. McKenna, Maurizio Martinelli, S. R. Wagner, V. B. Golubev, P. D. Dauncey, H. Neal, G. Grosdidier, M. K. Sullivan, V. Tisserand, G. P. Dubois-Felsmann, T. Schroeder, A. J. Lankford, R. Kass, D. Su, F. De Mori, S. Passaggio, M. Biasini, F. Ferrarotto, V. Santoro, D. W G S Leith, O. Long, M. A. Giorgi, D. Lindemann, L. Lanceri, A. Beaulieu, E. M. T. Puccio, R. Contri, Y. B. Pan, F. Bianchi, N. Guttman, A. Palano, R. Kowalewski, I. M. Nugent, B. G. Fulsom, A. J S Smith, H. L. Lynch, J. R. Fry, R. Stroili, M. Hess, G. Eigen, H. W. Wulsin, P. Patteri, M. Posocco, N. Arnaud, P. R. Burchat, J. A. Ernst, W. Dunwoodie, A. Calcaterra, Simon Akar, W. Panduro Vazquez, S. Martellotti, M. Mandelkern, F. Le Diberder, E. O. Olaiya, A. Hafner, W. R. Innes, V. E. Blinov, A. R. Buzykaev, G. Onorato, B. Echenard, M. Davier, M. Lo Vetere, A. Snyder, H. Koch, David Hutchcroft, J. Chauveau, M. Perl, S. Dittrich, S. Bettarini, P. C. Bloom, C. H. Cheng, S. Pacetti, K. T. Flood, G. Raven, R. Sacco, G. De Nardo, B. Stugu, H. M. Lacker, M. Margoni, D. Gamba, G. Finocchiaro, H. H. F. Choi, F. Forti, C. Voß, T. Lueck, P. Lewis, J. Ocariz, M. T. Graham, F. Ferroni, S. L. Wu, L. Piemontese, W. H. Toki, D. G. Hitlin, James D. Olsen, G. Piredda, G. Vasseur, G. J. King, D. A. Roberts, K. Griessinger, T. S. Mattison, W. Gradl, U. Mallik, M. Carpinelli, R. Godang, S. J. Sekula, M. Morandin, Ph Leruste, G. Casarosa, E. Gabathuler, C. Touramanis, G. Batignani, Brian Meadows, U. Uwer, S. Luitz, K. R. Schubert, M. V. Purohit, Denis Derkach, Marcin Chrzaszcz, C. Hast, R. Cenci, L. T. Kerth, R. F. Schwitters, J. Va'Vra, W. S. Lockman, R. H. Schindler, Alberto Lusiani, M. Piccolo, K. Yu. Todyshev, J. R. Wilson, J. Dorfan, Biplab Dey, A. Adametz, Fergus Wilson, T. S. Miyashita, P. Sonnek, A. Zallo, L. Vitale, Alessandro Pilloni, A. Randle-Conde, F. Simonetto, C. Bünger, Enrico Robutti, P. Ongmongkolkul, Eleonora Luppi, L. Cremaldi, J. Bougher, B. Spaan, J. M. Izen, P. F. Harrison, A. Jawahery, G. Cibinetto, D. R. Peimer, M. Bellis, M. Verderi, R. M. White, E. Feltresi, R. Faccini, C. Cartaro, D. Aston, D. J. Summers, George Lafferty, J. L. Ritchie, C. P. Jessop, V. Poireau, J. M. Losecco, G. Marchiori, F. C. Porter, D. J. Payne, F. Anulli, B. Bhuyan, E. Paoloni, V. Prasad, E. Grauges, F. Martinez-Vidal, J. J. Walsh, J. M. Roney, Sridhara Dasu, A. M. Eisner, R. Ayad, M. Gaspero, G. Calderini, P. Roudeau, B. Malaescu, D. J. Lange, Oliver Grünberg, G. R. Bonneaud, N. Tasneem, J. Albert, A. Seiden, R. Cheaib, E. Ben-Haim, R. Prepost, A. P. Onuchin, L. Sun, Alberto Cervelli, I. M. Peruzzi, D. Bettoni, W. J. Wisniewski, J. D. Richman, M. Franco Sevilla, Adrian John Bevan, Roger Barlow, S. Prell, B. G. Pushpawela, A. Gaz, Pablo Villanueva-Perez, D. N. Brown, S. H. Robertson, T. Adye, V. Luth, G. A. Cowan, Ray Franklin Cowan, P. C. Kim, F. U. Bernlochner, D. S. Chao, Matteo Rama, W. T. Ford, James G. Smith, Michael Sokoloff, M. Bomben, M. J. Lee, Dominik Müller, G. Sciolla, B. Hamilton, M. Ebert, A. Rossi, D. J. Bard, C. Sciacca, E. Fioravanti, Roland Waldi, V. P. Druzhinin, R. C. Field, H. Ahmed, D. M. Wright, M. S. Alam, P. M. Patel, T. M. Hong, Gabriele Simi, A. M. Lutz, A. Stocchi, Andrei Salnikov, D. B. Macfarlane, Claudio Campagnari, J. W. Gary, P. Taras, S. M. Spanier, C. L. Davis, M. Fritsch, G. Lynch, M. R. Convery, Christopher West, S. Emery, A. Soffer, C. Chen, A. V. Gritsan, A. G. Denig, B. N. Ratcliff, J. Cochran, Yu. G. Kolomensky, and R. Calabrese
Subjects: Nuclear physics, Baryon, Charmed baryons, Physics, Nuclear and High Energy Physics, Branching fraction, Electron–positron annihilation
Abstract: We report the observation of the baryonic decay B^0 → Λ^+_c pK^−K^+ using a data sample of 471×10^6 BB pairs produced in e^+e^− annihilations at √s = 10.58 GeV. This data sample was recorded with the BABAR detector at the PEP-II storage ring at SLAC. We find B(B^0 → Λ^+_c pK^−K^+)=(2.5±0.4_((stat))±0.2_((syst))± 0.6_(B(Λ^+_c)))×10^(−5), where the uncertainties are statistical, systematic, and due to the uncertainty of the Λ^+_c →p K^−π^+ branching fraction, respectively. The result has a significance corresponding to 5.0 standard deviations, including all uncertainties. For the resonant decay B^0 → Λ^+_c pϕ, we determine the upper limit B(B^0 → Λ^+_c pϕ)
Published: 2015

95. Study ofB±,0→J/ψK+K−K±,0and search forB0→J/ψϕatBaBar

Author: Maria Roberta Monge, J. A. McKenna, S. R. Wagner, A. J S Smith, F. Le Diberder, M. Lo Vetere, F. Forti, C. Voß, A. Adametz, Elisa Guido, B. Oberhof, A. Soffer, B. C. Wray, R. Calabrese, G. Wormser, P. C. Bloom, C. H. Cheng, R. J. Sobie, A. Roodman, N. Tasneem, J. Albert, M. J. Lewczuk, D. S. Chao, D. H. Wright, A. P. Wagner, D. Su, P. Lewis, R. Y. So, E. A. Kravchenko, D. Dujmic, Elisa Manoni, R. Andreassen, T. Schroeder, Gabriele Simi, Dmytro Kovalskyi, N. Guttman, C. Chen, S. Playfer, I. M. Peruzzi, M. Franco Sevilla, A. J. Lankford, M. Piccolo, George Lafferty, C. P. Jessop, M. Gaspero, D. Monorchio, A. Filippi, G. Rizzo, G. J. King, M. Morandin, R. Stroili, Sw. Banerjee, M. Mandelkern, R. Ayad, J. P. Coleman, D. J. Lange, J. P. Lees, H. L. Lynch, Jose F Benitez, S. Emery, R. Prepost, W. Dunwoodie, U. Uwer, F. Simonetto, A. M. Lutz, J. R. Fry, C. Hearty, Oliver Grünberg, P. Biassoni, E. Fioravanti, Roland Waldi, Marcello Rotondo, J. Dorfan, G. R. Bonneaud, E. O. Olaiya, S. Passaggio, J. Va'Vra, R. Cenci, Marcin Chrzaszcz, M. Margoni, A. V. Gritsan, A. M. Ruland, T. Lueck, A. G. Denig, B. N. Ratcliff, W. S. Lockman, D. G. Hitlin, J. E. Brau, C. Touramanis, S. L. Wu, A. Stocchi, G. Piredda, U. Mallik, M. Carpinelli, T. Adye, D. Bettoni, P. D. Dauncey, H. Neal, T. Hartmann, James D. Olsen, J. R. Wilson, Alberto Lusiani, C. Hast, K. Yu. Todyshev, Andrei Salnikov, D. B. Macfarlane, S. Luitz, L. T. Kerth, K. R. Schubert, G. Casarosa, H. W. Wulsin, D. Bernard, R. F. Schwitters, P. M. Patel, T. S. Miyashita, R. Kass, R. Gorodeisky, M. Simard, S. I. Serednyakov, F. Palombo, W. Panduro Vazquez, M. Morii, S. Prell, T. Pulliam, Claudio Campagnari, J. Cochran, B. G. Pushpawela, A. Gaz, G. Grosdidier, A. Snyder, Michael Sokoloff, Eleonora Luppi, W. H. Toki, Matteo Rama, Yu. G. Kolomensky, E. P. Solodov, Nicola Neri, D. W G S Leith, V. Prasad, James G. Smith, S. H. Robertson, Y. B. Pan, M. J. Lee, F. Ferrarotto, B. Hamilton, M. Ebert, R. Sacco, E. M. T. Puccio, A. Rossi, B. Lindquist, D. J. Summers, V. Santoro, L. Lanceri, M. V. Purohit, Timothy Gershon, Biplab Dey, G. Calderini, R. Schwierz, R. Contri, D. J. Bard, S. M. Spanier, J. L. Ritchie, B. Echenard, V. P. Druzhinin, C. L. Davis, M. Fritsch, Fergus Wilson, T. Leddig, Denis Derkach, I. Garzia, V. Poireau, D. M. Wright, G. Lynch, M. Davier, H. R. Band, Simon Akar, R. Cheaib, Thomas Latham, C. Patrignani, G. Sciolla, Z. C. Huard, V. Tisserand, M. S. Alam, S. Zambito, A. R. Buzykaev, G. Onorato, G. P. Dubois-Felsmann, P. Sonnek, J. Bougher, T. M. Hong, Enrico Robutti, P. Ongmongkolkul, W. J. Wisniewski, J. M. Izen, S. Bettarini, J. M. Losecco, G. Marchiori, F. C. Porter, L. Cremaldi, M. Posocco, G. Raven, M. Wittgen, M. Bellis, L. Piemontese, E. Ben-Haim, W. T. Meyer, N. B. Sinev, T. S. Mattison, K. T. Flood, D. R. Peimer, V. E. Blinov, Martin Kocian, W. Gradl, Corrado Angelini, Andrea Rodriguez Perez, G. Vasseur, V. Ziegler, R. Frey, J. Chauveau, H. Briand, Ray Franklin Cowan, P. Patteri, D. Aston, X. C. Lou, P. C. Kim, F. U. Bernlochner, A. Randle-Conde, B. Bhuyan, D. Lopes Pegna, D. Gamba, F. Anulli, D. Lindemann, B. Spaan, A. Khan, H. Koch, M. Bomben, G. Eigen, Dominik Müller, M. Verderi, V. B. Golubev, C. Bozzi, G. Finocchiaro, E. Grauges, R. Faccini, J. M. Roney, S. Nelson, C. Sciacca, A. Palano, R. C. Field, H. Ahmed, F. Martinez-Vidal, J. J. Walsh, Sridhara Dasu, Ph Leruste, A. Hafner, W. R. Innes, S. Sitt, K. Griessinger, B. Malaescu, W. F. Wang, J. W. Gary, David Hutchcroft, A. N. Yushkov, R. Godang, P. Taras, D. M. Strom, G. Batignani, M. R. Convery, Brian Meadows, M. Biasini, Christopher West, A. Calcaterra, A. Seiden, A. M. Gabareen, R. H. Schindler, L. Vitale, A. Zallo, P. R. Burchat, J. A. Ernst, S. Pacetti, A. Oyanguren, Bruce Schumm, J. Ocariz, C. Bünger, E. Prencipe, M. T. Graham, M. Perl, F. Ferroni, S. Dittrich, F. De Mori, A. Jawahery, G. Cibinetto, B. G. Fulsom, E. Feltresi, A. P. Onuchin, L. Sun, Alberto Cervelli, Adrian John Bevan, R. M. White, C. Cartaro, D. J. Payne, E. Paoloni, P. Roudeau, L. Li Gioi, O. Long, W. T. Ford, S. Martellotti, G. De Nardo, R. de Sangro, B. Stugu, H. M. Lacker, S. J. Sekula, Yu. I. Skovpen, K. Honscheid, J. D. Richman, Pablo Villanueva-Perez, D. N. Brown, E. Torrence, V. Luth, G. A. Cowan, R. Kowalewski, N. Arnaud, E. Gabathuler, P. F. Harrison, A. M. Eisner, Roger Barlow, Maurizio Martinelli, M. K. Sullivan, M. A. Giorgi, F. Bianchi, I. M. Nugent, H. H. F. Choi, D. A. Roberts, F. Di Lodovico, and U. Nauenberg
Subjects: Nuclear physics, Physics, Nuclear and High Energy Physics, Particle physics, 010308 nuclear & particles physics, Electron–positron annihilation, 0103 physical sciences, Resonance, Dalitz plot, High Energy Physics::Experiment, B meson, 010306 general physics, 01 natural sciences
Abstract: We study the rare B meson decays B{+-,0} --> J/\psi\ K^+ K^- K{+-,0}, B{+-,0} --> J/\psi\ \phi\ K{+-,0}, and search for B0 --> J/\psi\ \phi, using 469 million BBbar events collected at the Upsilon(4S) resonance with the BABAR detector at the PEP-II e+e- asymmetric-energy collider. We present new measurements of branching fractions and a study of the J/\psi\phi mass distribution in search of new charmonium-like states. In addition, we search for the decay B0 --> J/\psi\ \phi, and find no evidence of a signal.
Published: 2015

96. Cycloalkane and Cycloalkene C−H Bond Dissociation Energies

Author: Steven R. Kass, Alireza Fattahi, Zhixin Tian, and Lev G Lis
Subjects: Cyclobutene, Stereochemistry, General Chemistry, Biochemistry, Bond-dissociation energy, Catalysis, Cyclobutane, Cyclopropane, chemistry.chemical_compound, Cycloalkane, Colloid and Surface Chemistry, chemistry, Physical chemistry, Cyclobutadiene, Bond energy, Cycloalkene
Abstract: Both C-H bond dissociation energies for cyclobutene were measured in the gas phase (BDE = 91.2 +/- 2.3 (allyl) and 112.5 +/- 2.5 (vinyl) kcal mol-1) via a thermodynamic cycle by carrying out proton affinity and electron-binding energy measurements on 1- and 3-cyclobutenyl anions. The results were compared to those for an acyclic model compound, cis-2-butene, and provide the needed information to experimentally establish the heat of formation of cyclobutadiene. Chemically accurate G3 and W1 calculations also were carried out on cycloalkanes, cycloalkenes, and selected reference compounds. It appears that commonly cited bond energies for cyclopropane, cyclobutane, and cyclohexane are 3 to 4 kcal mol-1 too small and their pi bond strengths, as given by BDE1 - BDE2, are in error by up to 8 kcal mol-1.
Published: 2006

97. The Heat of Formation of Cyclobutadiene

Author: Zhixin Tian, Alireza Fattahi, Steven R. Kass, and Lev G Lis
Subjects: chemistry.chemical_compound, chemistry, Ab initio quantum chemistry methods, Computational chemistry, Ab initio, Cyclobutadiene, General Medicine, General Chemistry, Mass spectrometry, Catalysis, Standard enthalpy of formation, Antiaromaticity
Published: 2006

98. Power of a remote hydrogen bond donor: anion recognition and structural consequences revealed by IR spectroscopy

Author: Masoud Samet, Mohammad Danesh-Yazdi, Alireza Fattahi, and Steven R. Kass
Subjects: Tris, chemistry.chemical_compound, Crystallography, Trifluoromethyl, chemistry, Stereochemistry, Hydrogen bond, Group (periodic table), Organic Chemistry, Polar, Infrared spectroscopy, Derivative (chemistry), Ion
Abstract: Natural and synthetic anion receptors are extensively employed, but the structures of their bound complexes are difficult to determine in the liquid phase. Infrared spectroscopy is used in this work to characterize the solution structures of bound anion receptors for the first time, and surprisingly only two of three hydroxyl groups of the neutral aliphatic triols are found to directly interact with Cl(–). The binding constants of these triols with zero to three CF3 groups were measured in a polar environment, and KCD3CN(Cl(–)) = 1.1 × 10(6) M(–1) for the tris(trifluoromethyl) derivative. This is a remarkably large value, and high selectivity with respect to interfering anions such as, Br(–), NO3(–) and NCS(–) is also displayed. The effects of the third “noninteracting” hydroxyl groups on the structures and binding constants were also explored, and surprisingly they are as large or larger than the OH substituents that hydrogen bond to Cl(–). That is, a remote hydroxyl group can play a larger role in binding than two OH substituents that directly interact with an anionic center.
Published: 2014

99. ATLAS pixel opto-electronics

Author: K.E. Arms, K.K. Gan, P. Jackson, M. Johnson, H. Kagan, R. Kass, A.M. Rahimi, C. Rush, S. Smith, R. Ter-Antonian, M.M. Zoeller, P. Buchholz, M. Holder, A. Roggenbuck, P. Schade, and M. Ziolkowski
Subjects: Accelerator Physics (physics.acc-ph), Nuclear and High Energy Physics, Physics - Instrumentation and Detectors, Physics::Instrumentation and Detectors, Optical link, Other Fields of Physics, FOS: Physical sciences, Physics::Optics, Radiation, High Energy Physics - Experiment, Vertical-cavity surface-emitting laser, High Energy Physics - Experiment (hep-ex), Computer Science::Hardware Architecture, Optics, Atlas (anatomy), medicine, Irradiation, Instrumentation, Physics, business.industry, Transmitter, Instrumentation and Detectors (physics.ins-det), Link (geometry), medicine.anatomical_structure, Physics::Accelerator Physics, Physics - Accelerator Physics, business, Pixel detector
Abstract: We have developed two radiation-hard ASICs for optical data transmission in the ATLAS pixel detector at the LHC at CERN: a driver chip for a Vertical Cavity Surface Emitting Laser (VCSEL) diode for 80 Mbit/s data transmission from the detector, and a Bi-Phase Mark decoder chip to recover the control data and 40 MHz clock received optically by a PIN diode. We have successfully implemented both ASICs in 0.25 micron CMOS technology using enclosed layout transistors and guard rings for increased radiation hardness. We present results of the performance of these chips, including irradiation with 24 GeV protons up to 61 Mrad (2.3 x 10e15 p/cm^2)., 17 pages, 23 figures, submitted to NIM Added references. Added figure 15. Moved sec. IV to sec. II
Published: 2005

100. Experimental Determination of the Heat of Hydrogenation of Phenylcyclobutadiene

Author: Alireza Fattahi, Steven R. Kass, and Lev G Lis
Subjects: Hot Temperature, Molecular Structure, Chemistry, Enthalpy, General Chemistry, Biochemistry, Bond-dissociation energy, Catalysis, Standard enthalpy of formation, chemistry.chemical_compound, Colloid and Surface Chemistry, Thermodynamic cycle, Thermodynamics, Organic chemistry, Proton affinity, Physical chemistry, Cyclobutadiene, Hydrogenation, Ionization energy, Cyclobutanes, Antiaromaticity
Abstract: The heat of hydrogenation of phenylcyclobutadiene (DeltaH degrees (hyd) = 57.4 +/- 4.9 kcal mol(-1)) was determined via a thermodynamic cycle by carrying out gas-phase measurements on 1-phenylcyclobuten-3-yl cation. This leads to an antiaromatic destabilization energy of 27 +/- 5 kcal mol(-1), a difference of 9.6 +/- 4.9 kcal mol(-1) for the first and second C-H bond dissociation energies of 1-phenylcyclobutene, and an estimate of 96 +/- 5 kcal mol(-1) for the heat of formation of cyclobutadiene. These results are compared to G3, G3(MP2), and B3LYP computations and represent the first experimental measurements of the energy of a monocyclic cyclobutadiene.
Published: 2005

Catalog

Books, media, physical & digital resources

See catalog results

Searchworks

Select search scope, currently: Articles Catalog books, media & more in Jio Institute collections Articles journal articles & other e-resources

Search

Search Constraints

Refine your results

Search Limiters

Topic

Publication Year Range

Language

Category

Publication Type

Journal

Region

Database

Publisher

1,148 results on '"R. Kass"'

Search Results

Catalog

Select search scope, currently: Articles

Catalog

books, media & more in Jio Institute collections

Articles

journal articles & other e-resources