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Journal Abstract Search

1067 related items for PubMed ID: 23713405

  • 1. 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.
    J Phys Chem B; 2013 Jun 27; 117(25):7737-49. PubMed ID: 23713405
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  • 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.
    J Phys Chem B; 2013 Nov 21; 117(46):14457-67. PubMed ID: 24160998
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  • 8. Hydrogen-bond assisted enormous broadening of infrared spectra of phenol-water cationic cluster: an ab initio mixed quantum-classical study.
    Yamashita T, Takatsuka K.
    J Chem Phys; 2007 Feb 21; 126(7):074304. PubMed ID: 17328602
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  • 10. Effects of hydrogen bond on 2-aminopyridine and its derivatives complexes in methanol solvent.
    Zhao J, Song P, Cui Y, Liu X, Sun S, Hou S, Ma F.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct 15; 131():282-7. PubMed ID: 24835930
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  • 13. Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron.
    Larsen RE, Bedard-Hearn MJ, Schwartz BJ.
    J Phys Chem B; 2006 Oct 12; 110(40):20055-66. PubMed ID: 17020394
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  • 14. Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron.
    Borgis D, Rossky PJ, Turi L.
    J Chem Phys; 2007 Nov 07; 127(17):174508. PubMed ID: 17994828
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  • 16. Signatures of nanoconfinement on the linear and nonlinear vibrational spectroscopy of a model hydrogen-bonded complex dissolved in a polar solvent.
    Tomkins J, Hanna G.
    J Phys Chem B; 2013 Oct 31; 117(43):13619-30. PubMed ID: 24079369
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  • 17. Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase.
    Sterpone F, Rossky PJ.
    J Phys Chem B; 2008 Apr 24; 112(16):4983-93. PubMed ID: 18380505
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  • 18. Hydrogen bond lifetimes and clustering of methanol in carbon tetrachloride solutions.
    Bloch K, Lawrence CP.
    J Phys Chem B; 2010 Jan 14; 114(1):293-7. PubMed ID: 20017465
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  • 19. Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex.
    Liu Y, Ding J, Liu R, Shi D, Sun J.
    J Comput Chem; 2009 Dec 14; 30(16):2723-7. PubMed ID: 19399768
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