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The Journal of Chemical Physics|May 10, 2020
Machine learning approach for describing vibrational solvatochromismKijeong Kwac, Minhaeng ChoThe Journal of Chemical Physics|October 10, 2019
Differential evolution algorithm approach for describing vibrational solvatochromismKijeong Kwac, Minhaeng ChoJournal of Chemical Theory and Computation|September 9, 2021
Machine Learning Approach for Describing Water OH Stretch VibrationsKijeong Kwac, Holly Freedman, Minhaeng ChoThe Journal of Chemical Physics|July 23, 2004
Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: linear and nonlinear vibrational spectraKijeong Kwac, Hochan Lee, Minhaeng ChoThe Journal of Physical Chemistry. B|September 4, 2025
Impact of Electric Field on the Structural Dynamics of Water and Adsorbed Molecules near an Electrode Surface: Simulations of 2D IR ExperimentsKijeong Kwac, Martin T Zanni, Minhaeng ChoThe Journal of Chemical Physics|February 11, 2024
Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrileKijeong Kwac, Nan Yang, Matthew J Ryan, et al.The Journal of Chemical Physics|March 19, 2008
Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: comparisons with IR and vibrational circular dichroism spectraKijeong Kwac, Kyung-Koo Lee, Jae Bum Han, et al.The Journal of Chemical Physics|January 4, 2007
Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopyKijeong Kwac, Chewook Lee, Yousung Jung, et al.The Journal of Physical Chemistry. B|December 11, 2013
A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform: hydrogen-bond structure and its signature on the infrared absorption spectrumKijeong Kwac, Eitan GevaThe Journal of Physical Chemistry. B|May 30, 2013
A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures III: nonequilibrium hydrogen-bond dynamics and infrared pump-probe spectraKijeong Kwac, Eitan GevaPageof 24