Similar articles for PMID: 21675789

Year	Number of Results
1921	1
1933	1
1951	1
1985	2
1986	7
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1988	1
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1992	4
1993	8
1994	3
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1996	9
1998	2
1999	2
2000	3
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2002	6
2003	6
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2005	16
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2007	15
2008	22
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2013	25
2014	29
2015	25
2016	17
2017	14
2018	18
2019	10
2020	16
2021	13
2022	11
2023	5
2024	0

1

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.

Kwac K, Geva E. Kwac K, et al. J Phys Chem B. 2011 Jul 28;115(29):9184-94. doi: 10.1021/jp204245z. Epub 2011 Jul 7. J Phys Chem B. 2011. PMID: 21675789

2

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.

Kwac K, Geva E. Kwac K, et al. J Phys Chem B. 2012 Mar 8;116(9):2856-66. doi: 10.1021/jp211792j. Epub 2012 Feb 24. J Phys Chem B. 2012. PMID: 22283660

3

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.

Kwac K, Geva E. Kwac K, et al. J Phys Chem B. 2013 Jun 27;117(25):7737-49. doi: 10.1021/jp403726t. Epub 2013 Jun 12. J Phys Chem B. 2013. PMID: 23713405

4

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.

Kwac K, Geva E. Kwac K, et al. J Phys Chem B. 2013 Nov 21;117(46):14457-67. doi: 10.1021/jp408580n. Epub 2013 Nov 12. J Phys Chem B. 2013. PMID: 24160998

5

The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.

Glover WJ, Larsen RE, Schwartz BJ. Glover WJ, et al. J Chem Phys. 2008 Oct 28;129(16):164505. doi: 10.1063/1.2996350. J Chem Phys. 2008. PMID: 19045282

6

Hydrogen-bond assisted enormous broadening of infrared spectra of phenol-water cationic cluster: an ab initio mixed quantum-classical study.

Yamashita T, Takatsuka K. Yamashita T, et al. J Chem Phys. 2007 Feb 21;126(7):074304. doi: 10.1063/1.2434778. J Chem Phys. 2007. PMID: 17328602

7

Vibrational energy relaxation of a hydrogen-bonded complex dissolved in a polar liquid via the mixed quantum-classical Liouville method.

Hanna G, Geva E. Hanna G, et al. J Phys Chem B. 2008 Apr 3;112(13):4048-58. doi: 10.1021/jp076155b. Epub 2008 Mar 11. J Phys Chem B. 2008. PMID: 18331018

8

Isotope effects on the vibrational relaxation and multidimensional infrared spectra of the hydrogen stretch in a hydrogen-bonded complex dissolved in a polar liquid.

Hanna G, Geva E. Hanna G, et al. J Phys Chem B. 2008 Dec 11;112(49):15793-800. doi: 10.1021/jp8072816. J Phys Chem B. 2008. PMID: 19368017

9

Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase.

Sterpone F, Rossky PJ. Sterpone F, et al. J Phys Chem B. 2008 Apr 24;112(16):4983-93. doi: 10.1021/jp711848q. Epub 2008 Apr 2. J Phys Chem B. 2008. PMID: 18380505

10

Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy.

Kwac K, Lee C, Jung Y, Han J, Kwak K, Zheng J, Fayer MD, Cho M. Kwac K, et al. J Chem Phys. 2006 Dec 28;125(24):244508. doi: 10.1063/1.2403132. J Chem Phys. 2006. PMID: 17199356

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