Calculation of vibrational infrared intensities and raman activities using explicit anharmonic wave functions

Journal of Physical Chemistry A

Volumn 111, Issue 44, 2007, Pages 11205-11213

  Seidler, Peter ^a   Kongsted, Jacob ^a   Christiansen, Ove ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

FORMALDEHYDE; HARMONIC ANALYSIS; INFRARED RADIATION; POTENTIAL ENERGY; RAMAN SCATTERING; SURFACE PROPERTIES; VIBRATIONAL SPECTRA;

AUTOMATIC COMPUTATION; RAMAN ACTIVITIES; VIBRATIONAL CONFIGURATION INTERACTION; VIBRATIONAL METHODS; VIBRATIONAL SELF CONSISTENT FIELDS;

WAVE FUNCTIONS;

EID: 36349029074     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp070327n     Document Type: Article

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