An ab initio study of the electronic structure and relative stability of the halogenated thiophosphorus compounds SPX (X = Cl, F, Br) and their isomers

Journal of Molecular Structure

Volumn 436-437, Issue , 1997, Pages 419-425

  Nowek, Andrzej ^a   Richardson, Rhonda ^a   Babinec, Peter ^a,b   Leszczyński, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b Faculty of Natural Sciences   (Slovakia)

Author keywords

Ab initio calculations; Eyring transition state theory; Isomerization; Molecular structure; Vibrational analysis

Indexed keywords

EID: 0031574182     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(97)00116-6     Document Type: Article

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