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Michael Filatov

Showing results (31-40 of 104) with videos related to

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Journal of Computational Chemistry|January 12, 2024
Unraveling the effect of aromaticity for the dynamics of excited states of single benzene fluorophoresMichael Filatov, Vladimir Mironov, Elfi Kraka
Chemical Society Reviews|January 30, 2010
NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determinationFrans A A Mulder, Michael Filatov
The Journal of Physical Chemistry. A|July 12, 2008
Excitation energies from spin-restricted ensemble-referenced Kohn-Sham method: a state-average approachAndranik Kazaryan, Jeroen Heuver, Michael Filatov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 18, 2008
Bonding in mercury molecules described by the normalized elimination of the small component and coupled cluster theoryDieter Cremer, Elfi Kraka, Michael Filatov
The Journal of Chemical Physics|July 5, 2013
Spin-orbit coupling calculations with the two-component normalized elimination of the small component methodMichael Filatov, Wenli Zou, Dieter Cremer
Physical Chemistry Chemical Physics : PCCP|June 24, 2024
Calculation of electric field gradients with the exact two-component (X2C) quasi-relativistic method and its local approximationsWenxin Li, Michael Filatov, Wenli Zou
The Journal of Chemical Physics|August 17, 2012
Relativistically corrected electric field gradients calculated with the normalized elimination of the small component formalismMichael Filatov, Wenli Zou, Dieter Cremer
The Journal of Chemical Physics|March 16, 2021
Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs)Fang Liu, Michael Filatov, Todd J Martínez
Journal of Chemical Theory and Computation|July 28, 2021
Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Cheol Ho Choi
Journal of Chemical Theory and Computation|May 19, 2020
Computation of Molecular Ionization Energies Using an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Cheol Ho Choi
Pageof 11

Showing results (31-40 of 104) with videos related to

Sort By:
Pageof 11
Journal of Computational Chemistry|January 12, 2024
Unraveling the effect of aromaticity for the dynamics of excited states of single benzene fluorophoresMichael Filatov, Vladimir Mironov, Elfi Kraka
Chemical Society Reviews|January 30, 2010
NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determinationFrans A A Mulder, Michael Filatov
The Journal of Physical Chemistry. A|July 12, 2008
Excitation energies from spin-restricted ensemble-referenced Kohn-Sham method: a state-average approachAndranik Kazaryan, Jeroen Heuver, Michael Filatov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 18, 2008
Bonding in mercury molecules described by the normalized elimination of the small component and coupled cluster theoryDieter Cremer, Elfi Kraka, Michael Filatov
The Journal of Chemical Physics|July 5, 2013
Spin-orbit coupling calculations with the two-component normalized elimination of the small component methodMichael Filatov, Wenli Zou, Dieter Cremer
Physical Chemistry Chemical Physics : PCCP|June 24, 2024
Calculation of electric field gradients with the exact two-component (X2C) quasi-relativistic method and its local approximationsWenxin Li, Michael Filatov, Wenli Zou
The Journal of Chemical Physics|August 17, 2012
Relativistically corrected electric field gradients calculated with the normalized elimination of the small component formalismMichael Filatov, Wenli Zou, Dieter Cremer
The Journal of Chemical Physics|March 16, 2021
Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs)Fang Liu, Michael Filatov, Todd J Martínez
Journal of Chemical Theory and Computation|July 28, 2021
Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Cheol Ho Choi
Journal of Chemical Theory and Computation|May 19, 2020
Computation of Molecular Ionization Energies Using an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Cheol Ho Choi
Pageof 11