Harmonic vibrational frequencies: Scaling factors for HF, B3LYP, and MP2 methods in combination with correlation consistent basis sets

Journal of Physical Chemistry A

Volumn 108, Issue 42, 2004, Pages 9213-9217

  Sinha, Pankaj ^a   Boesch, Scott E ^b   Gu, Changming ^b   Wheeler, Ralph A ^b   Wilson, Angela K ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

^b UNIVERSITY OF OKLAHOMA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE BASIS SETS (CBS); ELECTRON CORRELATION; SCALING FACTORS; VIBRATIONAL ENERGY;

ENTHALPY; ENTROPY; FREQUENCIES; HARMONIC ANALYSIS; LATTICE VIBRATIONS; LEAST SQUARES APPROXIMATIONS; PROBABILITY DENSITY FUNCTION;

QUANTUM THEORY;

EID: 7544222355     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048233q     Document Type: Article

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