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The Journal of Physical Chemistry Letters
|
December 26, 2025
Elucidation of Ultrafast Decay, Vibrational Beating, and Slow Decay Processes of Excited Azulene
Woojin Park, Jong Min Lim, Seogjoo J Jang, et al.
The Journal of Physical Chemistry Letters
|
October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology
Vladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.
The Journal of Physical Chemistry. A
|
October 17, 2024
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT
Konstantin Komarov, Minseok Oh, Hiroya Nakata, et al.
Journal of the American Chemical Society
|
July 18, 2002
Passive and active oxidation of Si(100) by atomic oxygen: a theoretical study of possible reaction mechanisms
Cheol Ho Choi, Da-Jiang Liu, J W Evans, et al.
Journal of Chemical Theory and Computation
|
October 16, 2023
Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
Konstantin Komarov, Woojin Park, Seunghoon Lee, et al.
Physical Review Letters
|
April 7, 2010
Inaccuracy of density functional theory calculations for dihydrogen binding energetics onto Ca cation centers
Janghwan Cha, Seokho Lim, Cheol Ho Choi, et al.
The Journal of Physical Chemistry. B
|
December 13, 2012
Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations
Manik K Ghosh, Suyong Re, Michael Feig, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
How neutral nitrogen-containing compounds are oxidized in oxidative-denitrogenation of liquid fuel with TiO<sub>2</sub>@carbon
Biswa Nath Bhadra, Yong Su Baek, Cheol Ho Choi, et al.
The Journal of Chemical Physics
|
May 17, 2019
Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT)
Seunghoon Lee, Emma Eunji Kim, Hiroya Nakata, et al.
The Journal of Physical Chemistry Letters
|
April 30, 2021
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine
Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, et al.
Page
of 11
Search research articles
Search
Showing results (61-70 of 105) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry Letters
|
December 26, 2025
Elucidation of Ultrafast Decay, Vibrational Beating, and Slow Decay Processes of Excited Azulene
Woojin Park, Jong Min Lim, Seogjoo J Jang, et al.
The Journal of Physical Chemistry Letters
|
October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology
Vladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.
The Journal of Physical Chemistry. A
|
October 17, 2024
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT
Konstantin Komarov, Minseok Oh, Hiroya Nakata, et al.
Journal of the American Chemical Society
|
July 18, 2002
Passive and active oxidation of Si(100) by atomic oxygen: a theoretical study of possible reaction mechanisms
Cheol Ho Choi, Da-Jiang Liu, J W Evans, et al.
Journal of Chemical Theory and Computation
|
October 16, 2023
Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory
Konstantin Komarov, Woojin Park, Seunghoon Lee, et al.
Physical Review Letters
|
April 7, 2010
Inaccuracy of density functional theory calculations for dihydrogen binding energetics onto Ca cation centers
Janghwan Cha, Seokho Lim, Cheol Ho Choi, et al.
The Journal of Physical Chemistry. B
|
December 13, 2012
Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations
Manik K Ghosh, Suyong Re, Michael Feig, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
How neutral nitrogen-containing compounds are oxidized in oxidative-denitrogenation of liquid fuel with TiO<sub>2</sub>@carbon
Biswa Nath Bhadra, Yong Su Baek, Cheol Ho Choi, et al.
The Journal of Chemical Physics
|
May 17, 2019
Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT)
Seunghoon Lee, Emma Eunji Kim, Hiroya Nakata, et al.
The Journal of Physical Chemistry Letters
|
April 30, 2021
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine
Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, et al.
Page
of 11