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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 spectrum
Kijeong Kwac, Eitan Geva
The 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 spectra
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
August 9, 2013
Solvation dynamics of formylperylene dissolved in methanol-acetonitrile liquid mixtures: a molecular dynamics study
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
June 17, 2011
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
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
October 29, 2013
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
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
January 31, 2012
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
Kijeong Kwac, Eitan Geva
The Journal of Chemical Physics
|
May 10, 2020
Machine learning approach for describing vibrational solvatochromism
Kijeong Kwac, Minhaeng Cho
The Journal of Chemical Physics
|
October 10, 2019
Differential evolution algorithm approach for describing vibrational solvatochromism
Kijeong Kwac, Minhaeng Cho
Journal of Chemical Theory and Computation
|
September 9, 2021
Machine Learning Approach for Describing Water OH Stretch Vibrations
Kijeong Kwac, Holly Freedman, Minhaeng Cho
The 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 spectra
Kijeong Kwac, Hochan Lee, Minhaeng Cho
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of 3
Search research articles
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
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 spectrum
Kijeong Kwac, Eitan Geva
The 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 spectra
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
August 9, 2013
Solvation dynamics of formylperylene dissolved in methanol-acetonitrile liquid mixtures: a molecular dynamics study
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
June 17, 2011
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
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
October 29, 2013
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
Kijeong Kwac, Eitan Geva
The Journal of Physical Chemistry. B
|
January 31, 2012
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
Kijeong Kwac, Eitan Geva
The Journal of Chemical Physics
|
May 10, 2020
Machine learning approach for describing vibrational solvatochromism
Kijeong Kwac, Minhaeng Cho
The Journal of Chemical Physics
|
October 10, 2019
Differential evolution algorithm approach for describing vibrational solvatochromism
Kijeong Kwac, Minhaeng Cho
Journal of Chemical Theory and Computation
|
September 9, 2021
Machine Learning Approach for Describing Water OH Stretch Vibrations
Kijeong Kwac, Holly Freedman, Minhaeng Cho
The 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 spectra
Kijeong Kwac, Hochan Lee, Minhaeng Cho
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of 3