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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 Organic Chemistry
|
April 21, 2020
(2-Fluoroallyl)boration of Ketones with (2-Fluoroallyl)boronates
Maxim A Novikov, Angelina Yu Bobrova, Igor A Mezentsev, et al.
The Journal of Organic Chemistry
|
February 25, 2021
Redirecting a Diels-Alder Reaction toward (2 + 2)-Cycloaddition
Maria V Panova, Michael G Medvedev, Maksim A Mar'yasov, et al.
Journal of Chemical Theory and Computation
|
February 20, 2026
The Potential Blind Spot of the τ-Dependent Exchange Density Functional Approximations
Anton V Leonov, Eugeny Yu Epifanov, Igor S Gerasimov, 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 Organic Chemistry
|
December 17, 2016
Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement
Rinat F Salikov, Konstantin P Trainov, Anastasia A Levina, 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.
Beilstein Journal of Organic Chemistry
|
February 6, 2024
Comparison of glycosyl donors: a supramer approach
Anna V Orlova, Nelly N Malysheva, Maria V Panova, et al.
Journal of Chemical Theory and Computation
|
April 28, 2026
Incorporating Scientific Knowledge into Neural Network Density Functionals
Mark Yu Schneider, Danis U Zaripov, Roman Yu Dokin, et al.
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of 5
Search research articles
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Showing results (11-20 of 47) with videos related to
Sort By:
Page
of 5
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 Organic Chemistry
|
April 21, 2020
(2-Fluoroallyl)boration of Ketones with (2-Fluoroallyl)boronates
Maxim A Novikov, Angelina Yu Bobrova, Igor A Mezentsev, et al.
The Journal of Organic Chemistry
|
February 25, 2021
Redirecting a Diels-Alder Reaction toward (2 + 2)-Cycloaddition
Maria V Panova, Michael G Medvedev, Maksim A Mar'yasov, et al.
Journal of Chemical Theory and Computation
|
February 20, 2026
The Potential Blind Spot of the τ-Dependent Exchange Density Functional Approximations
Anton V Leonov, Eugeny Yu Epifanov, Igor S Gerasimov, 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 Organic Chemistry
|
December 17, 2016
Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement
Rinat F Salikov, Konstantin P Trainov, Anastasia A Levina, 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.
Beilstein Journal of Organic Chemistry
|
February 6, 2024
Comparison of glycosyl donors: a supramer approach
Anna V Orlova, Nelly N Malysheva, Maria V Panova, et al.
Journal of Chemical Theory and Computation
|
April 28, 2026
Incorporating Scientific Knowledge into Neural Network Density Functionals
Mark Yu Schneider, Danis U Zaripov, Roman Yu Dokin, et al.
Page
of 5