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Cheol Ho Choi

Showing results (21-30 of 105) with videos related to

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The 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 Choi
The 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 Choi
The 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 Choi
The 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 Choi
Physical Chemistry Chemical Physics : PCCP|January 19, 2019
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanoneMichael Filatov, Seung Kyu Min, Cheol Ho Choi
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.
Pageof 11

Showing results (21-30 of 105) with videos related to

Sort By:
Pageof 11
The 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 Choi
The 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 Choi
The 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 Choi
The 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 Choi
Physical Chemistry Chemical Physics : PCCP|January 19, 2019
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanoneMichael Filatov, Seung Kyu Min, Cheol Ho Choi
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.
Pageof 11