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Alexey Illarionov
Alexey Illarionov
Chemistry
Computational chemistry
Polarizability
Force field (physics)
Transferability
6
Papers
94
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Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
2016
Journal of Computer-aided Molecular Design
Ganesh Kamath
Igor V. Kurnikov
Boris Fain
Igor Leontyev
Alexey Illarionov
Oleg Butin
Michael A. Olevanov
Leonid Pereyaslavets
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Citations (10)
A relativistic treatment of electron ionization of xenon
2011
Bulletin of the American Physical Society
A D Stauffer
Alexey Illarionov
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Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
2008
Journal of Computational Chemistry
A. G. Donchev
N. G. Galkin
Alexey Illarionov
Oleg Khoruzhii
Michael A. Olevanov
Vladimir Ozrin
Leonid Pereyaslavets
V. I. Tarasov
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Citations (21)
Water properties from first principles: Simulations by a general-purpose quantum mechanical polarizable force field
2006
Proceedings of the National Academy of Sciences of the United States of America
A. G. Donchev
N. G. Galkin
Alexey Illarionov
Oleg Khoruzhii
Mikhail Olevanov
Vladimir Ozrin
M. V. Subbotin
V. I. Tarasov
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Citations (45)
1