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The Journal of Chemical Physics|June 10, 2019
Time-dependent electron transfer rate between geminate ions with strong Coulomb interaction and distance-dependent reactivityMinjung Kim, Cheol Ho Choi, Sangyoub LeeJournal 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|August 1, 2016
Analytic second derivative of the energy for density-functional tight-binding combined with the fragment molecular orbital methodHiroya Nakata, Yoshio Nishimoto, Dmitri G FedorovThe Journal of Physical Chemistry. A|December 10, 2016
Origin of Acid-Base Catalytic Effects on Formaldehyde HydrationNizam Uddin, Tae Hoon Choi, Cheol Ho ChoiThe Journal of Physical Chemistry. B|November 21, 2012
Hydrophobic and hydrophilic associations of a methanol pair in aqueous solutionManik Kumer Ghosh, Nizam Uddin, Cheol Ho ChoiThe Journal of Chemical Physics|June 16, 2012
Relativistic potential energy surfaces of initial oxidations of Si(100) by atomic oxygen: the importance of surface dimer triplet stateTae-Rae Kim, Seokmin Shin, Cheol Ho ChoiThe Journal of Physical Chemistry. B|June 14, 2013
Efficient parallel implementations of QM/MM-REMD (quantum mechanical/molecular mechanics-replica-exchange MD) and umbrella sampling: isomerization of H2O2 in aqueous solutionDmitri G Fedorov, Yuji Sugita, Cheol Ho ChoiThe Journal of Physical Chemistry. B|April 23, 2013
Direct absolute pKa predictions and proton transfer mechanisms of small molecules in aqueous solution by QM/MM-MDNizam Uddin, Tae Hoon Choi, Cheol Ho ChoiPhysical Chemistry Chemical Physics : PCCP|January 19, 2019
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanoneMichael Filatov, Seung Kyu Min, Cheol Ho ChoiPageof 14