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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 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.
Journal of Chemical Theory and Computation
|
April 13, 2026
Free Energy of a Solvent Molecule: Conventional Ideal Gas Approximation versus Experimental Thermodynamics Data
Egor A Eliseev, Julia A Velmiskina, Nikolai V Krivoshchapov, et al.
The Journal of Physical Chemistry. A
|
December 6, 2024
Informing Empirically Fitted Density Functionals about the Physics of Interelectronic Interactions
Timofey V Losev, Ilya D Ivanov, Igor S Gerasimov, et al.
Journal of Chemical Information and Modeling
|
June 5, 2025
Physics-Informed Bayesian Optimization for Conformational Ensemble Augmentation
Ivan A Bespalov, Nikolai V Krivoshchapov, Alexey A Lisov, et al.
The Journal of Chemical Physics
|
March 12, 2025
Hamiltonian replica-exchange method α-REMD for ring spearing elimination in polymers
Artem Yu Kunitsyn, Nadezhda A Nekrasova, Nikolai V Krivoshchapov, et al.
The Journal of Organic Chemistry
|
September 19, 2023
Two-Component versus Three-Component Condensations in the Race between Hydrazide, Triketone, and Hydrogen Peroxide-How do All Six Reactive Centers Cooperate to Incorporate the Most Diverse Set of Heteroatomic Bridges in a Tricyclic Frame?
Ivan A Yaremenko, Yulia Yu Belyakova, Peter S Radulov, et al.
Organic Letters
|
September 7, 2022
Cascade Assembly of Bridged N-Substituted Azaozonides: The Counterintuitive Role of Nitrogen Source Nucleophilicity
Ivan A Yaremenko, Yulia Yu Belyakova, Peter S Radulov, et al.
The Journal of Organic Chemistry
|
October 12, 2022
Activation of O-Electrophiles <i>via</i> Structural and Solvent Effects: S<sub>N</sub>2@O Reaction of Cyclic Diacyl Peroxides with Enol Acetates
Vera A Vil', Evgenii S Gorlov, Diana V Shuingalieva, et al.
Chemical Society Reviews
|
September 20, 2021
Correction: Stereoelectronic power of oxygen in control of chemical reactivity: the anomeric effect is not alone
Igor V Alabugin, Leah Kuhn, Michael G Medvedev, et al.
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Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
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 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.
Journal of Chemical Theory and Computation
|
April 13, 2026
Free Energy of a Solvent Molecule: Conventional Ideal Gas Approximation versus Experimental Thermodynamics Data
Egor A Eliseev, Julia A Velmiskina, Nikolai V Krivoshchapov, et al.
The Journal of Physical Chemistry. A
|
December 6, 2024
Informing Empirically Fitted Density Functionals about the Physics of Interelectronic Interactions
Timofey V Losev, Ilya D Ivanov, Igor S Gerasimov, et al.
Journal of Chemical Information and Modeling
|
June 5, 2025
Physics-Informed Bayesian Optimization for Conformational Ensemble Augmentation
Ivan A Bespalov, Nikolai V Krivoshchapov, Alexey A Lisov, et al.
The Journal of Chemical Physics
|
March 12, 2025
Hamiltonian replica-exchange method α-REMD for ring spearing elimination in polymers
Artem Yu Kunitsyn, Nadezhda A Nekrasova, Nikolai V Krivoshchapov, et al.
The Journal of Organic Chemistry
|
September 19, 2023
Two-Component versus Three-Component Condensations in the Race between Hydrazide, Triketone, and Hydrogen Peroxide-How do All Six Reactive Centers Cooperate to Incorporate the Most Diverse Set of Heteroatomic Bridges in a Tricyclic Frame?
Ivan A Yaremenko, Yulia Yu Belyakova, Peter S Radulov, et al.
Organic Letters
|
September 7, 2022
Cascade Assembly of Bridged N-Substituted Azaozonides: The Counterintuitive Role of Nitrogen Source Nucleophilicity
Ivan A Yaremenko, Yulia Yu Belyakova, Peter S Radulov, et al.
The Journal of Organic Chemistry
|
October 12, 2022
Activation of O-Electrophiles <i>via</i> Structural and Solvent Effects: S<sub>N</sub>2@O Reaction of Cyclic Diacyl Peroxides with Enol Acetates
Vera A Vil', Evgenii S Gorlov, Diana V Shuingalieva, et al.
Chemical Society Reviews
|
September 20, 2021
Correction: Stereoelectronic power of oxygen in control of chemical reactivity: the anomeric effect is not alone
Igor V Alabugin, Leah Kuhn, Michael G Medvedev, et al.
Page
of 2