Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion

Journal of Molecular Structure: THEOCHEM

Volumn 624, Issue 1-3, 2003, Pages 153-157

  Filho, Oswaldo Treu ^a   Kondo, Rogério Toshiaki ^b   Pinheiro, José Ciríaco ^c,d  

^a SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^d Coop Ctro Educ Cie e Emp da A ^*  (Brazil)

Author keywords

Contracted basis sets; Generator coordinate Hartree Fock method; GTF basis sets; Theoretical interpretation of the Raman spectrum; Vibrational properties of molecular species

Indexed keywords

CHROMIUM; HEXAAQUACHROMIUM; HYDROGEN; UNCLASSIFIED DRUG;

ARTICLE; ELECTRONICS; POLARIZATION; RAMAN SPECTROMETRY; VIBRATION;

EID: 0037466285     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00774-1     Document Type: Article

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