Showing results (1-10 of 466) with videos related to
Sort By:
Pageof 47
Journal of Chemical Theory and Computation|January 6, 2021
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and DiradicaloidsYevhen Horbatenko, Saima Sadiq, Seunghoon Lee, 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 GapsYevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.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 TheorySeunghoon Lee, Yevhen Horbatenko, Michael Filatov, et al.Journal of Chemical Theory and Computation|January 4, 2021
How Beneficial Is the Explicit Account of Doubly-Excited Configurations in Linear Response Theory?Yevhen Horbatenko, Seunghoon Lee, Michael Filatov, et al.The Journal of Physical Chemistry Letters|January 18, 2023
Prototropically Controlled Dynamics of Cytosine PhotodecaySaima Sadiq, Woojin Park, Vladimir Mironov, et al.The Journal of Physical Chemistry Letters|July 28, 2022
A Plausible Mechanism of Uracil Photohydration Involves an Unusual IntermediateWoojin Park, Michael Filatov Gulak, Saima Sadiq, et al.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 ChoiJournal 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 ChoiThe 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 matrixSeunghoon Lee, Michael Filatov, Sangyoub Lee, et al.The Journal of Physical Chemistry. A|September 9, 2020
Computation of Molecular Electron Affinities Using an Ensemble Density Functional Theory MethodMichael Filatov, Seunghoon Lee, Hiroya Nakata, et al.Pageof 47