Calculation of the Jahn-Teller effect in benzene cation: Application to spectral analysis

Journal of Chemical Physics

Volumn 117, Issue 23, 2002, Pages 10654-10674

  Applegate, Brian E ^a   Miller, Terry A ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; COMPUTER SIMULATION; INFRARED SPECTROSCOPY; MATRIX ALGEBRA; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POSITIVE IONS; POTENTIAL ENERGY; SPECTRUM ANALYSIS; SURFACES; VECTORS;

AB INITIO CALCULATIONS; JAHN TELLER COUPLING CONSTANTS; JAHN TELLER EFFECT; JAHN TELLER POTENTIAL ENERGY SURFACES; JAHN TELLER STABILIZATION ENERGY;

BENZENE;

EID: 0037115886     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1520531     Document Type: Article

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