| Year |
Citation |
Score |
| 2024 |
Kwac K, Yang N, Ryan MJ, Zanni MT, Cho M. Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrile. The Journal of Chemical Physics. 160. PMID 38341780 DOI: 10.1063/5.0189122 |
0.433 |
|
| 2023 |
Ryan MJ, Yang N, Kwac K, Wilhelm KB, Chi BK, Weix DJ, Cho M, Zanni MT. The hydrogen-bonding dynamics of water to a nitrile-functionalized electrode is modulated by voltage according to ultrafast 2D IR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 120: e2314998120. PMID 38127983 DOI: 10.1073/pnas.2314998120 |
0.489 |
|
| 2021 |
Baiz CR, Błasiak B, Bredenbeck J, Cho M, Choi JH, Corcelli SA, Dijkstra AG, Feng CJ, Garrett-Roe S, Ge NH, Hanson-Heine MWD, Hirst JD, Jansen TLC, Kwac K, Kubarych KJ, et al. Correction to Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical Reviews. PMID 34709802 DOI: 10.1021/acs.chemrev.1c00758 |
0.535 |
|
| 2021 |
Kwac K, Freedman H, Cho M. Machine Learning Approach for Describing Water OH Stretch Vibrations. Journal of Chemical Theory and Computation. PMID 34498885 DOI: 10.1021/acs.jctc.1c00540 |
0.309 |
|
| 2020 |
Baiz CR, Błasiak B, Bredenbeck J, Cho M, Choi JH, Corcelli SA, Dijkstra AG, Feng CJ, Garrett-Roe S, Ge NH, Hanson-Heine MWD, Hirst JD, Jansen TLC, Kwac K, Kubarych KJ, et al. Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical Reviews. PMID 32598850 DOI: 10.1021/Acs.Chemrev.9B00813 |
0.592 |
|
| 2019 |
Kwac K, Cho M. Differential evolution algorithm approach for describing vibrational solvatochromism. The Journal of Chemical Physics. 151: 134112. PMID 31594319 DOI: 10.1063/1.5120777 |
0.327 |
|
| 2013 |
Kwac K, Geva E. 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 spectrum. The Journal of Physical Chemistry. B. 117: 16493-505. PMID 24321084 DOI: 10.1021/Jp4080724 |
0.669 |
|
| 2013 |
Kwac K, Geva E. A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform II: infrared emission spectra, vibrational excited-state lifetimes, and nonequilibrium hydrogen-bond dynamics. The Journal of Physical Chemistry. B. 117: 14457-67. PMID 24160998 DOI: 10.1021/Jp408580N |
0.72 |
|
| 2013 |
Kwac K, Geva E. Solvation dynamics of formylperylene dissolved in methanol-acetonitrile liquid mixtures: a molecular dynamics study. The Journal of Physical Chemistry. B. 117: 9996-10006. PMID 23924373 DOI: 10.1021/Jp405818F |
0.622 |
|
| 2013 |
Kwac K, Geva E. 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 spectra. The Journal of Physical Chemistry. B. 117: 7737-49. PMID 23713405 DOI: 10.1021/Jp403726T |
0.692 |
|
| 2012 |
Kwac K, Geva E. Mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon-tetrachloride mixtures II: excited state hydrogen bonding structure and dynamics, infrared emission spectrum, and excited state lifetime. The Journal of Physical Chemistry. B. 116: 2856-66. PMID 22283660 DOI: 10.1021/Jp211792J |
0.708 |
|
| 2011 |
Kwac K, Geva E. A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures: equilibrium hydrogen-bond structure and dynamics at the ground state and the infrared absorption spectrum. The Journal of Physical Chemistry. B. 115: 9184-94. PMID 21675789 DOI: 10.1021/Jp204245Z |
0.713 |
|
| 2008 |
Kwac K, Lee KK, Han JB, Oh KI, Cho M. Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: comparisons with IR and vibrational circular dichroism spectra. The Journal of Chemical Physics. 128: 105106. PMID 18345930 DOI: 10.1063/1.2837461 |
0.378 |
|
| 2006 |
Kwac K, Lee C, Jung Y, Han J, Kwak K, Zheng J, Fayer MD, Cho M. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy. The Journal of Chemical Physics. 125: 244508. PMID 17199356 DOI: 10.1063/1.2403132 |
0.434 |
|
| 2005 |
DeCamp MF, DeFlores L, McCracken JM, Tokmakoff A, Kwac K, Cho M. Amide I vibrational dynamics of N-methylacetamide in polar solvents: the role of electrostatic interactions. The Journal of Physical Chemistry. B. 109: 11016-26. PMID 16852342 DOI: 10.1021/Jp050257P |
0.576 |
|
| 2005 |
Kwac K, Cho M. Hydrogen bonding dynamics and two-dimensional vibrational spectroscopy: N-methylacetamide in liquid methanol Journal of Raman Spectroscopy. 36: 326-336. DOI: 10.1002/Jrs.1303 |
0.596 |
|
| 2004 |
Kwac K, Lee H, Cho M. Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: linear and nonlinear vibrational spectra. The Journal of Chemical Physics. 120: 1477-90. PMID 15268273 DOI: 10.1063/1.1633549 |
0.548 |
|
| 2003 |
Kwac K, Cho M. Molecular dynamics simulation study of N-methylacetamide in water. II. Two-dimensional infrared pump-probe spectra Journal of Chemical Physics. 119: 2256-2263. DOI: 10.1063/1.1580808 |
0.312 |
|
| 2003 |
Kwac K, Cho M. Molecular dynamics simulation study of N-methylacetamide in water. I. Amide I mode frequency fluctuation Journal of Chemical Physics. 119: 2247-2255. DOI: 10.1063/1.1580807 |
0.363 |
|
| 2003 |
Kwac K, Cho M. Two-color pump-probe spectroscopies of two- and three-level systems: 2-dimensional line shapes and solvation dynamics Journal of Physical Chemistry A. 107: 5903-5912. DOI: 10.1021/Jp034727W |
0.305 |
|
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