C-H stretching vibrational shift of benzene dimer: Consistency of experiment and calculation

ChemPhysChem

Volumn 8, Issue 14, 2007, Pages 2107-2111

  Wang, Weizhou ^a   Pitoňák, Michal ^a   Hobza, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

Ab initio calculations; Benzene dimer; Density functional calculations; Stacking interactions; Vibrational spectroscopy

Indexed keywords

BENZENE; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIMERS; STRETCHING; TEMPERATURE; VIBRATIONAL SPECTROSCOPY;

AB INITIO CALCULATIONS; BENZENE DIMERS; LONDON DISPERSION ENERGIES; LOW ENERGY STRUCTURES; STACKING INTERACTION; STRETCHING FREQUENCY; STRETCHING VIBRATIONS; TRANSITION STRUCTURES;

BLUE SHIFT;

EID: 35348937220     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200700415     Document Type: Article

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