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Igor S Gerasimov

Showing results (1-10 of 7) with videos related to

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The Journal of Chemical Physics|March 28, 2025
Least popular vibrational entropy model provides the best accuracy and robustnessJulia A Velmiskina, Vadim I Malyshev, 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.
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.
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.
Beilstein Journal of Organic Chemistry|June 20, 2020
The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalystsSvetlana A Kuznetsova, Alexander S Gak, Yulia V Nelyubina, et al.
Journal of Chemical Theory and Computation|October 4, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel ArchitecturesFederico Zahariev, Peng Xu, Bryce M Westheimer, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|March 28, 2025
Least popular vibrational entropy model provides the best accuracy and robustnessJulia A Velmiskina, Vadim I Malyshev, 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.
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.
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.
Beilstein Journal of Organic Chemistry|June 20, 2020
The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalystsSvetlana A Kuznetsova, Alexander S Gak, Yulia V Nelyubina, et al.
Journal of Chemical Theory and Computation|October 4, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel ArchitecturesFederico Zahariev, Peng Xu, Bryce M Westheimer, et al.
Pageof 1