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Journal of Chemical Information and Modeling
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May 22, 2024
Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics
Nikolai V Krivoshchapov, Michael G Medvedev
Chemical Communications (Cambridge, England)
|
April 26, 2016
Z-effect reversal in carboxylic acid associates
Michael G Medvedev, Ivan S Bushmarinov, Konstantin A Lyssenko
The Journal of Physical Chemistry Letters
|
November 3, 2021
Unraveling the Nature of Extraframework Catalytic Ensembles in Zeolites: Flexibility and Dynamics of the Copper-Oxo Trimers in Mordenite
Elena V Khramenkova, Michael G Medvedev, Guanna Li, et al.
The Journal of Chemical Physics
|
August 15, 2025
On the practical applicability of DM21 neural-network DFT functional for chemical calculations: Focus on geometry optimization
Kirill Kulaev, Alexander Ryabov, Michael G Medvedev, et al.
The Journal of Physical Chemistry Letters
|
February 15, 2024
Binomial Uncertainty in Molecular Dynamics-Based Reactions Analysis
Sofya P Tyukina, Julia A Velmiskina, Artem O Dmitrienko, et al.
The Journal of Chemical Physics
|
March 28, 2025
Least popular vibrational entropy model provides the best accuracy and robustness
Julia A Velmiskina, Vadim I Malyshev, Igor S Gerasimov, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 27, 2021
Exhaustive Conformational Search for Sialyl Cation Reveals Possibility of Remote Participation of Acyl Groups
Maria V Panova, Michael G Medvedev, Anna V Orlova, et al.
Chemical Society Reviews
|
September 20, 2021
Anomeric effect, hyperconjugation and electrostatics: lessons from complexity in a classic stereoelectronic phenomenon
Igor V Alabugin, Leah Kuhn, Nikolai V Krivoshchapov, et al.
Science (New York, N.Y.)
|
May 6, 2017
Response to Comment on "Density functional theory is straying from the path toward the exact functional"
Michael G Medvedev, Ivan S Bushmarinov, Jianwei Sun, et al.
Science (New York, N.Y.)
|
January 7, 2017
Density functional theory is straying from the path toward the exact functional
Michael G Medvedev, Ivan S Bushmarinov, Jianwei Sun, et al.
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of 5
Search research articles
Search
Showing results (1-10 of 47) with videos related to
Sort By:
Page
of 5
Journal of Chemical Information and Modeling
|
May 22, 2024
Accurate and Efficient Conformer Sampling of Cyclic Drug-Like Molecules with Inverse Kinematics
Nikolai V Krivoshchapov, Michael G Medvedev
Chemical Communications (Cambridge, England)
|
April 26, 2016
Z-effect reversal in carboxylic acid associates
Michael G Medvedev, Ivan S Bushmarinov, Konstantin A Lyssenko
The Journal of Physical Chemistry Letters
|
November 3, 2021
Unraveling the Nature of Extraframework Catalytic Ensembles in Zeolites: Flexibility and Dynamics of the Copper-Oxo Trimers in Mordenite
Elena V Khramenkova, Michael G Medvedev, Guanna Li, et al.
The Journal of Chemical Physics
|
August 15, 2025
On the practical applicability of DM21 neural-network DFT functional for chemical calculations: Focus on geometry optimization
Kirill Kulaev, Alexander Ryabov, Michael G Medvedev, et al.
The Journal of Physical Chemistry Letters
|
February 15, 2024
Binomial Uncertainty in Molecular Dynamics-Based Reactions Analysis
Sofya P Tyukina, Julia A Velmiskina, Artem O Dmitrienko, et al.
The Journal of Chemical Physics
|
March 28, 2025
Least popular vibrational entropy model provides the best accuracy and robustness
Julia A Velmiskina, Vadim I Malyshev, Igor S Gerasimov, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 27, 2021
Exhaustive Conformational Search for Sialyl Cation Reveals Possibility of Remote Participation of Acyl Groups
Maria V Panova, Michael G Medvedev, Anna V Orlova, et al.
Chemical Society Reviews
|
September 20, 2021
Anomeric effect, hyperconjugation and electrostatics: lessons from complexity in a classic stereoelectronic phenomenon
Igor V Alabugin, Leah Kuhn, Nikolai V Krivoshchapov, et al.
Science (New York, N.Y.)
|
May 6, 2017
Response to Comment on "Density functional theory is straying from the path toward the exact functional"
Michael G Medvedev, Ivan S Bushmarinov, Jianwei Sun, et al.
Science (New York, N.Y.)
|
January 7, 2017
Density functional theory is straying from the path toward the exact functional
Michael G Medvedev, Ivan S Bushmarinov, Jianwei Sun, et al.
Page
of 5