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Publications by O. V. Khoruzhii
Water Properties From First Principles: Simulations by a General-Purpose Quantum Mechanical Polarizable Force Field
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
The Orientation Parameters and Rotation Curves of 15 Spiral Galaxies
Astronomy and Astrophysics
Astrophysics
Astronomy
Planetary Science
Space
Related publications
Polarizable General Force Field for Drug-Like Molecules: Drude General Force Field (DGenFF)
Biophysical Journal
Biophysics
A Polarizable Reactive Force Field for Water to Enable Molecular Dynamics Simulations of Proton Transport
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Prediction of Mechanical Properties of Materials From First-Principles
TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series A
Nuclear Quantum Effects of Light and Heavy Water Studied by All-Electron First Principles Path Integral Simulations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
On the Absolute Thermodynamics of Water From Computer Simulations: A Comparison of First-Principles Molecular Dynamics, Reactive and Empirical Force Fields
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
First Principles Simulations
Le Journal de Physique IV
Fundamental Reaction Pathway for Peptide Metabolism by Proteasome: Insights From First-Principles Quantum Mechanical/Molecular Mechanical Free Energy Calculations
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
The Quest for Accurate Liquid Water Properties From First Principles
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Molecular Dynamics of Polarizable Point Dipole Models for Molten NaI. Comparison With First Principles Simulations
EPJ Web of Conferences
Astronomy
Physics
