Comparison of classical, new corrected-classical, and semiclassical IR spectra of non-rotating H2O with quantum calculations

Chemical Physics Letters

Volumn 384, Issue 1-3, 2004, Pages 80-85

  Kaledin, Alexey L ^a   Huang, Xinchuan ^a   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

WATER;

ACCURACY; ARTICLE; DIPOLE; ELECTRIC POTENTIAL; ENERGY; ENERGY YIELD; EXPERIMENTAL MODEL; INFRARED RADIATION; INTERMETHOD COMPARISON; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; QUANTUM CHEMISTRY; QUANTUM MECHANICS; ROTATION; SPECTRUM;

EID: 0348230636     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.12.013     Document Type: Article

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