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Physical Chemistry Chemical Physics : PCCP
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January 19, 2019
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone
Michael Filatov, Seung Kyu Min, Cheol Ho Choi
Journal of Chemical Theory and Computation
|
April 11, 2019
Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach
In Seong Lee, Michael Filatov, Seung Kyu Min
The Journal of Physical Chemistry Letters
|
May 13, 2021
Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
Seunghoon Lee, Yevhen Horbatenko, Michael Filatov, et al.
Journal of Chemical Theory and Computation
|
January 4, 2021
How Beneficial Is the <i>Explicit</i> Account of Doubly-Excited Configurations in Linear Response Theory?
Yevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.
The Journal of Chemical Physics
|
September 17, 2018
Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix
Seunghoon Lee, Michael Filatov, Sangyoub Lee, et al.
Topics in Current Chemistry
|
April 22, 2015
Description of Conical Intersections with Density Functional Methods
Miquel Huix-Rotllant, Alexander Nikiforov, Walter Thiel, et al.
The Journal of Physical Chemistry. A
|
August 23, 2019
Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy Gaps
Yevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2010
A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?
Dani Setiawan, Andranik Kazaryan, Muhamad Abdulkadir Martoprawiro, et al.
The Journal of Physical Chemistry. A
|
September 9, 2020
Computation of Molecular Electron Affinities Using an Ensemble Density Functional Theory Method
Michael Filatov, Seunghoon Lee, Hiroya Nakata, et al.
The Journal of Physical Chemistry Letters
|
December 17, 2015
Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum Efficiency
Alexander Nikiforov, Jose A Gamez, Walter Thiel, et al.
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of 11
Search research articles
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Showing results (51-60 of 104) with videos related to
Sort By:
Page
of 11
Physical Chemistry Chemical Physics : PCCP
|
January 19, 2019
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone
Michael Filatov, Seung Kyu Min, Cheol Ho Choi
Journal of Chemical Theory and Computation
|
April 11, 2019
Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach
In Seong Lee, Michael Filatov, Seung Kyu Min
The Journal of Physical Chemistry Letters
|
May 13, 2021
Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
Seunghoon Lee, Yevhen Horbatenko, Michael Filatov, et al.
Journal of Chemical Theory and Computation
|
January 4, 2021
How Beneficial Is the <i>Explicit</i> Account of Doubly-Excited Configurations in Linear Response Theory?
Yevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.
The Journal of Chemical Physics
|
September 17, 2018
Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix
Seunghoon Lee, Michael Filatov, Sangyoub Lee, et al.
Topics in Current Chemistry
|
April 22, 2015
Description of Conical Intersections with Density Functional Methods
Miquel Huix-Rotllant, Alexander Nikiforov, Walter Thiel, et al.
The Journal of Physical Chemistry. A
|
August 23, 2019
Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy Gaps
Yevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 3, 2010
A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?
Dani Setiawan, Andranik Kazaryan, Muhamad Abdulkadir Martoprawiro, et al.
The Journal of Physical Chemistry. A
|
September 9, 2020
Computation of Molecular Electron Affinities Using an Ensemble Density Functional Theory Method
Michael Filatov, Seunghoon Lee, Hiroya Nakata, et al.
The Journal of Physical Chemistry Letters
|
December 17, 2015
Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum Efficiency
Alexander Nikiforov, Jose A Gamez, Walter Thiel, et al.
Page
of 11