Study of the perpendicular band intensities of the CH chromophore in CHCl3, CHBr3, and CHI3 with three-dimensional dipole moment surface from density functional calculations

Journal of Physical Chemistry A

Volumn 105, Issue 37, 2001, Pages 8428-8433

  He, Sheng Gui ^a   Yuan, Lan Feng ^a   Lin, Hai ^a,c   Zhu, Qing Shi ^a   Wang, Xiao Gang ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

^c UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENT SURFACES (DMS);

HAMILTONIANS; MOLECULAR DYNAMICS; POLYNOMIAL APPROXIMATION; PROBABILITY DENSITY FUNCTION;

CHROMOPHORES;

EID: 0035921576     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0040906     Document Type: Article

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