Reduced-size polarized basis sets for calculations of molecular electric properties. II. Simulation of the Raman spectra

Journal of Computational Chemistry

Volumn 26, Issue 2, 2005, Pages 154-159

  Oakes, Roma E ^a   Bell, Steven E J ^a   Benkova, Zuzana ^b   Sadlej, Andrzej J ^b  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

Dipole moments; Dipole polarizabilities; Polarized basis sets; Raman intensities; ZmPolX basis sets

Indexed keywords

ELECTRIC PROPERTIES; INFRARED RADIATION; POLARIZATION; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING;

POLARIZED BASIS SETS; RAMAN INTENSITIES; ZMPOIX BASIS SETS;

MOLECULAR DYNAMICS;

EID: 12344261031     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20158     Document Type: Article

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