A theoretical investigation into the conformational changes of dibenzo-p-dioxin, thianthrene, and selenanthrene

Journal of Molecular Structure

Volumn 655, Issue 3, 2003, Pages 451-458

  Kim, Sunghwan ^a   Kwon, Younghi ^a   Lee, Jong Phil ^b   Choi, Seung Youl ^b   Choo, Jaebum ^b  

^a Hanyang University   (South Korea)

^b Hanyang University   (South Korea)

Author keywords

Dibenzo p dioxin; Natural bond orbital analysis; Natural population analysis; Selenanthrene; Thianthrene

Indexed keywords

CYCLOALKENE; DIBENZODIOXIN DERIVATIVE; DIOXIN; SELENANTHRENE; THIANTHRENE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CONFORMATIONAL TRANSITION; NATURAL BOND ORBITAL ANALYSIS; NATURAL POPULATION ANALYSIS;

EID: 0042671139     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00326-0     Document Type: Article

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