57 results on '"Vener, Mikhail V."'
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2. Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline Hydrate
3. Supramolecular Organization in Salts of Riluzole with Dihydroxybenzoic Acids—The Key Role of the Mutual Arrangement of OH Groups
4. High-Mobility Naphthalene Diimide Derivatives Revealed by Raman-Based In Silico Screening
5. Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates
6. Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-like Compounds: The Role of Counterion
7. Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs
8. Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates
9. Spectroscopic Assessment of Charge‐Carrier Mobility in Crystalline Organic Semiconductors
10. Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline
11. Pharmaceutical Salts of Fenbendazole with Organic Counterions: Structural Analysis and Solubility Performance
12. Non‐Local Electron‐Phonon Interaction in Naphthalene Diimide Derivatives, its Experimental Probe and Impact on Charge‐Carrier Mobility
13. Two Faces of Water in the Formation and Stabilization of Multicomponent Crystals of Zwitterionic Drug-Like Compounds
14. Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions
15. Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate
16. Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate
17. Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds: periodic DFT study
18. Intra‐ and Intermolecular Vibrations of Organic Semiconductors and Their Role in Charge Transport
19. Effect of aluminum vacancies on the H 2 O 2 or H 2 O interaction with a gamma‐AlOOH surface. A solid‐state DFT study
20. Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone
21. Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals
22. Hypercoordinated Oligosilanes Based on Aminotrisphenols
23. Hydration of the Carboxylate Group in Anti-Inflammatory Drugs: ATR-IR and Computational Studies of Aqueous Solution of Sodium Diclofenac
24. Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac
25. Azasydnone – novel “green” building block for designing high energetic compounds
26. Inhibiting Low-Frequency Vibrations Explains Exceptionally High Electron Mobility in 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F2-TCNQ) Single Crystals
27. The role of London dispersion interactions in strong and moderate intermolecular hydrogen bonds in the crystal and in the gas phase
28. Weak Interactions Cause Packing Polymorphism in Pharmaceutical Two-Component Crystals. The Case Study of the Salicylamide Cocrystal
29. Peroxosolvates: Formation Criteria, H2O2 Hydrogen Bonding, and Isomorphism with the Corresponding Hydrates
30. Effects of the crystal structure and thermodynamic stability on solubility of bioactive compounds: DFT study of isoniazid cocrystals
31. Spectral features of guanidinium-carboxylate salt bridges. The combined ATR-IR and theoretical studies of aqueous solution of guanidinium acetate
32. Quantification of Conventional and Nonconventional Charge-Assisted Hydrogen Bonds in the Condensed and Gas Phases
33. ChemInform Abstract: Potassium, Cesium, and Ammonium Peroxogermanates with Inorganic Hexanuclear Peroxo Bridged Germanium Anion Isolated from Aqueous Solution.
34. Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study
35. Potassium, Cesium, and Ammonium Peroxogermanates with Inorganic Hexanuclear Peroxo Bridged Germanium Anion Isolated from Aqueous Solution
36. Proton Dynamics in Hydrogen-bonded Crystals
37. Evaluation of the Lattice Energy of the Two-Component Molecular Crystals Using Solid-State Density Functional Theory
38. Salicylamide Cocrystals: Screening, Crystal Structure, Sublimation Thermodynamics, Dissolution, and Solid-State DFT Calculations
39. Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods
40. The structure and vibrational features of proton disolvates in water-ethanol solutions of HCl: the combined spectroscopic and theoretical study
41. How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X-ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study
42. A qualitative study of the effect of a counterion and polar environment on the structure and spectroscopic signatures of a hydrated hydroxyl anion
43. Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis
44. H-Bond Network in Amino Acid Cocrystals with H2O or H2O2. The DFT Study of Serine–H2O and Serine–H2O2
45. A model proton-transfer system in the condensed phase: NH4+OOH−, a crystal with short intermolecular H-bonds
46. Density Functional Study of the Proton Transfer Effect on Vibrations of Strong (Short) Intermolecular O−H···N/O−···H−N+ Hydrogen Bonds in Aprotic Solvents
47. Protonation of water clusters in the cavities of acidic zeolites: (H2O)n·H-chabazite, n = 1–4
48. Proton Dynamics in Strong (Short) Intramolecular H-Bond. DFT Study of the KH Maleate Crystal
49. DFT Study of Proton Dynamics in the Potassium Hydrogen Maleate Crystal: the Infrared Versus the Inelastic Neutron Scattering Spectra
50. Environmental Effects on Vibrational Proton Dynamics in H5O2+: DFT Study on Crystalline H5O2+ClO4-
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