Ab initio calculations on PO2 and anharmonic Franck-Condon simulations of its single-vibrational-level emission spectra

Journal of Physical Chemistry A

Volumn 106, Issue 43, 2002, Pages 10130-10138

  Lee, Edmond P F ^a,b   Mok, Daniel K W ^a   Dyke, John M ^b   Chau, Foo Tim ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR VIBRATIONS; OPTIMIZATION; POTENTIAL ENERGY; SPECTRUM ANALYSIS;

ELECTRONIC CONFIGURATIONS;

PHOSPHORUS COMPOUNDS;

EID: 0037206770     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026202u     Document Type: Article

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