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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.
The Journal of Chemical Physics
|
April 10, 2020
Green's function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions
Kyusup Lee, Jaeyoung Sung, Cheol Ho Choi, 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 Chemical Physics
|
June 24, 2019
Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks
Achini Japahuge, Seunghoon Lee, Cheol Ho Choi, et al.
The Journal of Physical Chemistry Letters
|
September 28, 2023
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with the Practicality of Linear Response Theory
Woojin Park, Konstantin Komarov, Seunghoon Lee, 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.
The Journal of Physical Chemistry. A
|
September 6, 2019
Sulfuric Acid Formation via H<sub>2</sub>SO<sub>3</sub> Oxidation by H<sub>2</sub>O<sub>2</sub> in the Atmosphere
Svetlana Shostak, Kitae Kim, Yevhen Horbatenko, et al.
Journal of Chemical Theory and Computation
|
May 20, 2025
Addressing the High-Throughput Screening Challenges of Inverted Singlet-Triplet Materials by MRSF-TDDFT
Alireza Lashkaripour, Woojin Park, Mohsen Mazaherifar, et al.
Journal of the American Chemical Society
|
June 9, 2005
Cycloaddition isomerizations of adsorbed 1,3-cyclohexadiene on Si(100)-2x1 surface: first neighbor interactions
Hee Soon Lee, Cheol Ho Choi, Mark S Gordon
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of 11
Search research articles
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Showing results (31-40 of 105) with videos related to
Sort By:
Page
of 11
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.
The Journal of Chemical Physics
|
April 10, 2020
Green's function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions
Kyusup Lee, Jaeyoung Sung, Cheol Ho Choi, 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 Chemical Physics
|
June 24, 2019
Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks
Achini Japahuge, Seunghoon Lee, Cheol Ho Choi, et al.
The Journal of Physical Chemistry Letters
|
September 28, 2023
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with the Practicality of Linear Response Theory
Woojin Park, Konstantin Komarov, Seunghoon Lee, 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.
The Journal of Physical Chemistry. A
|
September 6, 2019
Sulfuric Acid Formation via H<sub>2</sub>SO<sub>3</sub> Oxidation by H<sub>2</sub>O<sub>2</sub> in the Atmosphere
Svetlana Shostak, Kitae Kim, Yevhen Horbatenko, et al.
Journal of Chemical Theory and Computation
|
May 20, 2025
Addressing the High-Throughput Screening Challenges of Inverted Singlet-Triplet Materials by MRSF-TDDFT
Alireza Lashkaripour, Woojin Park, Mohsen Mazaherifar, et al.
Journal of the American Chemical Society
|
June 9, 2005
Cycloaddition isomerizations of adsorbed 1,3-cyclohexadiene on Si(100)-2x1 surface: first neighbor interactions
Hee Soon Lee, Cheol Ho Choi, Mark S Gordon
Page
of 11