Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts

Journal of Physical Chemistry A

Volumn 111, Issue 25, 2007, Pages 5422-5433

  Morales, Christine M ^a   Thompson, Ward H ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIATOMIC MOLECULES; MECHANISTIC ANALYSIS; VIBRATIONAL FREQUENCY SHIFTS; VIBRATIONAL MODES;

COMPUTER SIMULATION; ORGANIC SOLVENTS; QUANTUM THEORY; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

MOLECULAR DYNAMICS;

EID: 34547380745     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp071656i     Document Type: Article

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