A graph theoretical approach to cis/trans isomerism
نویسندگان
چکیده
منابع مشابه
A graph theoretical approach to cis/trans isomerism
Abstract: A simple graph-theory-based model is presented, by means of which it is possible to express the energy difference between geometrically non-equivalent forms of a conjugated polyene. This is achieved by modifying the adjacency matrix of the molecular graph, and including into it information on cis/trans constellations. The total π-electron energy thus calculated is in excellent agreeme...
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ژورنال
عنوان ژورنال: Journal of the Serbian Chemical Society
سال: 2014
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc140120010f