867 results on '"Berne B"'
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202. Potentiating effect of dietary vitamin A on photocarcinogenesis in hairless mice
203. Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry
204. Do Molecules as Small as Neopentane Induce a Hydrophobic Response Similar to That of Large Hydrophobic Surfaces?
205. Computer Simulation of a “Green Chemistry” Room-Temperature Ionic Solvent
206. Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests
207. Helix Unfolding and Intramolecular Hydrogen Bond Dynamics in Small α-Helices in Explicit Solvent
208. A New Semiempirical Approach to Study Ground and Excited States of Metal Complexes in Biological Systems
209. Differential uptake of chloroquine by human keratinocytes and melanocytes in culture
210. Quantum Rate Constants from Short-Time Dynamics: An Analytic Continuation Approach
211. Induction of p53 Expression in Skin by Radiotherapy and UV Radiation: a Randomized Study
212. Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach
213. Blue Gene: A vision for protein science using a petaflop supercomputer
214. Ultraviolet light induces expression of p53 and p21 in human skin; effect of sunscreen and constitutive p21 expression in skin appendages
215. In situ localization of chloroquine and immunohistochemical studies in UVB-irradiated skin of photosensitive patients
216. Urinary excretion of melanocyte metabolites during treatment with chloroquine phosphate
217. Quantum Thermal Annealing with Renormalization: Application to a Frustrated Model Protein
218. Rabani, Gezelter, and Berne Reply
219. Quantum mechanical canonical rate theory: A new approach based on the reactive flux and numerical analytic continuation methods
220. Multicanonical jump walk annealing: An efficient method for geometric optimization
221. Interface-LimitedGrowth of Heterogeneously NucleatedIce in Supercooled Water.
222. Global Optimization: Quantum Thermal Annealing with Path Integral Monte Carlo
223. Second-Order Reentrant Phase Transition in the Quantum Anisotropic Planar Rotor Model
224. Real time quantum correlation functions. II. Maximum entropy numerical analytic continuation of path integral Monte Carlo and centroid molecular dynamics data
225. Real time quantum correlation functions. I. Centroid molecular dynamics of anharmonic systems
226. On the Adequacy of Mixed Quantum-Classical Dynamics in Condensed Phase Systems
227. Surface Curvature Effects in the Aqueous Ionic Solvation of the Chloride Ion
228. Classical Approximation to Nonradiative Electronic Relaxation in Condensed Phase Systems
229. Erratum: “Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state” [J. Chem. Phys. 110, 6143 (1999)]
230. Multicanonical jump walking: A method for efficiently sampling rough energy landscapes
231. Fluctuating Charge, Polarizable Dipole, and Combined Models: Parameterization from ab Initio Quantum Chemistry
232. Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using the Cage Correlation Function
233. Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state
234. Nonradiative relaxation processes in condensed phases: Quantum versus classical baths
235. Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium
236. Calculating the hopping rate for diffusion in molecular liquids: CS2
237. Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model
238. The dependence of the rate constant for isomerization on the competition between intramolecular vibrational relaxation and energy transfer to the bath: A stochastic model
239. On the application of numerical analytic continuation methods to the study of quantum mechanical vibrational relaxation processes
240. A comparison of exact quantum mechanical and various semiclassical treatments for the vibronic absorption spectrum: The case of fast vibrational relaxation
241. Decreased p53 expression in chronically sun-exposed human skin after topical photoprotection
242. Energy Dissipation in Nonlinear Systems Coupled to a Bath: On the Use of Perturbative Maps
243. Response to “Comment on a critique of the instantaneous normal mode (INM) approach to diffusion” [J. Chem. Phys. 109, 4693 (1998)]
244. Constructing ab initio force fields for molecular dynamics simulations
245. Vibronic spectra in condensed matter: A comparison of exact quantum mechanical and various semiclassical treatments for harmonic baths
246. The simulation of electronic absorption spectrum of a chromophore coupled to a condensed phase environment: Maximum entropy versus singular value decomposition approaches
247. Free Energy of the Hydrophobic Interaction from Molecular Dynamics Simulations: The Effects of Solute and Solvent Polarizability
248. Smart walking: A new method for Boltzmann sampling of protein conformations
249. Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations
250. Erratum: “Large scale simulation of macromolecules in solution: Combining the periodic fast multipole method with multiple time step integrators” [J. Chem. Phys. 106, 9835 (1997)]
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