A Gaussian-2 ab initio study of the [C2H5S]- potential energy surface: I. Structures and energetics of [C2H5S]- anions and fragmentation pathways of the thioethoxide anion

Journal of Physical Chemistry A

Volumn 105, Issue 32, 2001, Pages 7651-7664

  Chiu, S W ^a   Li, Wai Kee ^b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

FRAGMENTATION PATHWAYS; RECOMBINATION MECHANISMS;

CHEMICAL ANALYSIS; COMPUTATIONAL METHODS; CONFORMATIONS; DISSOCIATION; ELECTRONIC PROPERTIES; ISOMERS; MOLECULAR STRUCTURE; POTENTIAL ENERGY;

NEGATIVE IONS;

EID: 0035899764     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010063j     Document Type: Article

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