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Physical Chemistry Chemical Physics : PCCP|June 10, 2015
Like-charge ion pairs of hydronium and hydroxide in aqueous solution?Manik Kumer Ghosh, Tae Hoon Choi, Cheol Ho Choi
Journal of Chemical Theory and Computation|January 9, 2019
Fast Overlap Evaluations for Nonadiabatic Molecular Dynamics Simulations: Applications to SF-TDDFT and TDDFTSeunghoon Lee, Eunji Kim, Sangyoub Lee, 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.
The Journal of Physical Chemistry. B|July 26, 2006
Comparative study of surface cycloadditions of ethylene and 2-butene on the Si(100)-2 x 1 surfaceHee Soon Lee, Cheol Ho Choi, Mark S Gordon
The Journal of Physical Chemistry. A|September 9, 2020
Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission ChromophoresEkadashi Pradhan, 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 TheoryWoojin Park, Konstantin Komarov, Seunghoon Lee, 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 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 6, 2019
Sulfuric Acid Formation via H2SO3 Oxidation by H2O2 in the AtmosphereSvetlana 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-TDDFTAlireza Lashkaripour, Woojin Park, Mohsen Mazaherifar, et al.
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