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The Journal of Physical Chemistry. A
|
March 16, 2021
Beyond the Classical Contributions to Exchange Coupling in Binuclear Transition Metal Complexes
Jakub Chalupský, Martin Srnec
The Journal of Chemical Physics
|
December 3, 2013
Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization
Jakub Chalupský, Takeshi Yanai
The Journal of Physical Chemistry. A
|
January 8, 2008
Quasiplanarity of the peptide bond
Jakub Chalupský, Jirí Vondrásek, Vladimír Spirko
The Journal of Physical Chemistry Letters
|
January 26, 2021
Interpretation of Exchange Interaction through Orbital Entanglement
Jakub Chalupský, Martin Srnec, Takeshi Yanai
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2014
Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory
Yuki Kurashige, Masaaki Saitow, Jakub Chalupský, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 9, 2022
Comprehensive Theoretical View of the [Cu<sub>2</sub> O<sub>2</sub> ] Side-on-Peroxo-/Bis-μ-Oxo Equilibria
Agnieszka Stańczak, Jakub Chalupský, Lubomír Rulíšek, et al.
The Journal of Chemical Physics
|
November 10, 2014
Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group
Yuki Kurashige, Jakub Chalupský, Tran Nguyen Lan, et al.
Journal of the American Chemical Society
|
April 12, 2023
Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis
Priyam Bharadwaz, Mauricio Maldonado-Domínguez, Jakub Chalupský, et al.
The Journal of Physical Chemistry. A
|
November 8, 2017
Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons
Jakub Kaminský, Jakub Chalupský, Petr Štěpánek, et al.
Inorganic Chemistry
|
December 19, 2006
Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
Jakub Chalupský, Frank Neese, Edward I Solomon, et al.
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of 2
Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
March 16, 2021
Beyond the Classical Contributions to Exchange Coupling in Binuclear Transition Metal Complexes
Jakub Chalupský, Martin Srnec
The Journal of Chemical Physics
|
December 3, 2013
Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization
Jakub Chalupský, Takeshi Yanai
The Journal of Physical Chemistry. A
|
January 8, 2008
Quasiplanarity of the peptide bond
Jakub Chalupský, Jirí Vondrásek, Vladimír Spirko
The Journal of Physical Chemistry Letters
|
January 26, 2021
Interpretation of Exchange Interaction through Orbital Entanglement
Jakub Chalupský, Martin Srnec, Takeshi Yanai
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2014
Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory
Yuki Kurashige, Masaaki Saitow, Jakub Chalupský, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 9, 2022
Comprehensive Theoretical View of the [Cu<sub>2</sub> O<sub>2</sub> ] Side-on-Peroxo-/Bis-μ-Oxo Equilibria
Agnieszka Stańczak, Jakub Chalupský, Lubomír Rulíšek, et al.
The Journal of Chemical Physics
|
November 10, 2014
Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group
Yuki Kurashige, Jakub Chalupský, Tran Nguyen Lan, et al.
Journal of the American Chemical Society
|
April 12, 2023
Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis
Priyam Bharadwaz, Mauricio Maldonado-Domínguez, Jakub Chalupský, et al.
The Journal of Physical Chemistry. A
|
November 8, 2017
Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons
Jakub Kaminský, Jakub Chalupský, Petr Štěpánek, et al.
Inorganic Chemistry
|
December 19, 2006
Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
Jakub Chalupský, Frank Neese, Edward I Solomon, et al.
Page
of 2