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Journal of Computer-Aided Molecular Design|November 27, 2019
Non-zero Lennard-Jones parameters for the Toukan-Rahman water model: more accurate calculations of the solvation free energy of organic substancesAlexei NikitinJournal of Chemical Theory and Computation|June 7, 2024
Simulation of Linear and Cyclic Alkanes with Second-Order Møller-Plesset Perturbation Theory through Adaptive Force MatchingAlexei Nikitin, Feng WangJournal of Molecular Modeling|April 5, 2021
Partial charges for molecular-mechanical models of heterocyclic compounds: pyridine nitrogenAlexei Nikitin, Vladimir ChekhovJournal of Computational Chemistry|July 14, 2019
Development of Nonbonded Models for Metal Cations Using the Electronic Continuum CorrectionAlexei Nikitin, Gianluca Del FrateJournal of Computational Chemistry|February 22, 2021
To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MCAlexei Nikitin, Vladislava Milchevskaya, Alexander LyubartsevThe Journal of Physical Chemistry. B|October 27, 2015
AMBER-ii: New Combining Rules and Force Field for PerfluoroalkanesAlexei Nikitin, Yury Milchevskiy, Alexander LyubartsevNature Materials|August 9, 2003
Nanoporous carbide-derived carbon with tunable pore sizeYury Gogotsi, Alexei Nikitin, Haihui Ye, et al.Pageof 1