Kijeong Kwac - Publications

Affiliations: 
2008-2013 Korea Advanced Institute of Science and Technology, Daejeon, South Korea 

21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Park SY, Kim TG, Ajitha MJ, Kwac K, Lee YM, Kim H, Jung Y, Kwon OH. The critical size of hydrogen-bonded alcohol clusters as effective Brønsted bases in solutions. Physical Chemistry Chemical Physics : Pccp. PMID 27337993 DOI: 10.1039/c6cp01650b  0.56
2016 Park SY, Lee YM, Kwac K, Jung Y, Kwon OH. Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26757097 DOI: 10.1002/chem.201503948  0.56
2016 Kwac K, Lee JH, Choi JW, Jung Y. Computational Analysis of Pressure-Dependent Optimal Pore Size for CO2 Capture with Graphitic Surfaces Journal of Physical Chemistry C. 120: 3978-3985. DOI: 10.1021/acs.jpcc.5b12404  0.56
2016 Park SY, Lee YM, Kwac K, Jung Y, Kwon OH. Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol Chemistry - a European Journal. DOI: 10.1002/chem.201600695  0.56
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  0.56
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  0.56
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  0.56
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  0.56
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  0.56
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  0.56
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  0.56
2008 Kwac K, Wolynes PG. Protein structure prediction using an associated memory Hamiltonian and all-atom molecular dynamics simulations Bulletin of the Korean Chemical Society. 29: 2172-2182.  0.56
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  0.56
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  0.56
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  0.56
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  0.56
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  0.56
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  0.56
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  0.56
2001 Kwac K, Yang M, Shin KJ. Excited-state reversible association-dissociation reaction: Renormalized kinetic theory in configuration space Journal of Chemical Physics. 114: 3883-3897. DOI: 10.1063/1.1344612  0.56
1996 Kwac K, Shin S, Lee S, Shin KJ. Theoretical studies of surface diffusion : Multidimensional TST and effect of surface vibrations Bulletin of the Korean Chemical Society. 17: 192-198.  0.56
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