Finding, optimization, and verification of transition state structures with semi-empirical and ab-initio computational methods

Journal of Molecular Structure: THEOCHEM

Volumn 465, Issue 2-3, 1999, Pages 173-182

  Jursic, Branko S ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Ab initio computational methods; Semi empirical; Transition state structures

Indexed keywords

ARTICLE; AUTOMATION; CALCULATION; CONFORMATIONAL TRANSITION; STRUCTURE ANALYSIS;

EID: 0033535879     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00328-5     Document Type: Article

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