Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study

Journal of Physical Chemistry B

Volumn 112, Issue 2, 2008, Pages 636-649

  Koch, Denise M ^a   Peslherbe, Gilles H ^a  

^a Dept of Electrical and Computer Engineering   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; MOLECULAR MECHANICS; OPTIMIZATION; PHOTODISSOCIATION; SOLVENTS;

ELECTRONIC EXCITED STATES; NONADIABATIC DYNAMICS; QUANTUM TRANSITIONS; SOLVENT-SOLVENT INTERACTIONS;

QUANTUM THEORY;

EID: 38749108848     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp709656z     Document Type: Article

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