Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A = O, S and X = Br, I)

Journal of Computational Chemistry

Volumn 28, Issue 12, 2007, Pages 2027-2033

  Zeng, T ^a   Jamshidi, Z ^b   Mori, H ^c   Miyoshi, E ^c   Klobukowski, M ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

^b SHIRAZ UNIVERSITY   (Iran)

^c KYUSHU UNIVERSITY   (Japan)

Author keywords

(thio ) phosphoryl halide; Electron affinity; Model core potential

Indexed keywords

COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ELECTROSTATICS; HALIDE MINERALS; NEGATIVE IONS; POTENTIAL ENERGY SURFACES;

GEOMETRIC STRUCTURE; MODEL CORE POTENTIALS (MCP); RAMAN FREQUENCIES; THIOPHOSPHORYL HALIDES;

PHOSPHORUS COMPOUNDS;

EID: 34547414978     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20726     Document Type: Article

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