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Publications by S. A. Pylaeva
Symmetry and Dynamics of FHF– Anion in Vacuum, in CD2Cl2 and in CCl4. Ab Initio MD Study of Fluctuating Solvent-Solute Hydrogen and Halogen Bonds
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
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Ab Initio Study of Hydrogen Diffusion in Zirconium Oxide
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Hydrogen Promoted Decomposition of Ammonium Dinitramide: An Ab Initio Molecular Dynamics Study
Chinese Journal of Chemical Physics
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Ab Initio Molecular Dynamics Study of the Structural and Electronic Transition in VO2
Physical Review B
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Condensed Matter Physics
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Intermolecular Complexes and Molecular Conformations Directed by Hydrogen Bonds: Matrix Isolation and Ab Initio Studies
Journal of the Indian Institute of Science
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Triple Hydrogen Bonding in a Circular Arrangement: Ab Initio, DFT and First-Principles MD Studies of Tris-Hydroxyaryl Enamines
Journal of Computer-Aided Molecular Design
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Isomorphous Crystals From Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds
Crystals
Materials Science
Inorganic Chemistry
Chemical Engineering
Condensed Matter Physics
Ab-Initio Molecular Dynamics Study on Impurities and Defects.
Bulletin of the Japan Institute of Metals
Dynamics Around Solutes and Solute Solvent Complexes in Mixed Solvents
Proceedings of the National Academy of Sciences of the United States of America
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Covalent Anion of Li(HF)3- System: An Ab Initio Study
Ecletica Quimica
Chemistry
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Astronomy
