Coupled-cluster calculations of vibrational Raman optical activity spectra

ChemPhysChem

Volumn 12, Issue 17, 2011, Pages 3442-3448

  Crawford, T Daniel ^a   Ruud, Kenneth ^b  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b UNIVERSITY OF TROMSØ   (Norway)

Author keywords

computational chemistry; coupled cluster calculations; density functional calculations; Raman optical activity; vibrational spectroscopy

Indexed keywords

CLUSTER ANALYSIS; COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; MOLECULAR PHYSICS; OPTICAL MATERIALS; VIBRATIONAL SPECTROSCOPY;

COUPLED-CLUSTER CALCULATIONS; DENSITY-FUNCTIONAL LEVEL; DIFFERENCE PARAMETERS; EXCHANGE-CORRELATION FUNCTIONALS; GAS-PHASE MEASUREMENT; HIGH-FREQUENCY VIBRATIONAL MODES; RAMAN OPTICAL ACTIVITY; VIBRATIONAL RAMAN OPTICAL ACTIVITIES;

NUMERICAL METHODS;

EID: 82955229545     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100547     Document Type: Article

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