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The Journal of Physical Chemistry. A|December 6, 2024
Informing Empirically Fitted Density Functionals about the Physics of Interelectronic InteractionsTimofey V Losev, Ilya D Ivanov, Igor S Gerasimov, et al.Journal of Chemical Theory and Computation|February 20, 2026
The Potential Blind Spot of the τ-Dependent Exchange Density Functional ApproximationsAnton V Leonov, Eugeny Yu Epifanov, Igor S Gerasimov, et al.Journal of Chemical Theory and Computation|April 28, 2026
Incorporating Scientific Knowledge into Neural Network Density FunctionalsMark Yu Schneider, Danis U Zaripov, Roman Yu Dokin, et al.Science (New York, N.Y.)|August 4, 2022
Comment on "Pushing the frontiers of density functionals by solving the fractional electron problem"Igor S Gerasimov, Timofey V Losev, Evgeny Yu Epifanov, et al.Journal of Chemical Information and Modeling|February 10, 2023
Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug DesignTimofey V Losev, Igor S Gerasimov, Maria V Panova, et al.Molecules (Basel, Switzerland)|June 12, 2026
E/Z Isomerism of the Potential Antiepileptic Drug GIZH-298Grigory V Mokrov, Svetlana A Litvinova, Valentina E Biryukova, et al.Pageof 1