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Acyclic systems with extremal Hückel π-electron energy
Authors:Ivan Gutman
Affiliation:(1) Institute "ldquo"Rudjer Bo"scaron"kovi"cacute""rdquo", P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
Abstract:The main result of the present work is the proof that among acyclic polyenes CnHn+2, the linear isomer H2C=(CH)n–2=CH2 has maximal HMO pgr-electron energy. The 1,1-divinyl isomer (H2C=CH)2C(CH)n–6=CH2 has maximal pgr-energy among branched acyclic systems. Among trees withn vertices, the star has minimal energy. A number of additional inequalities for HMO total pgr-electron energy of acyclic conjugated systems are proved.
Keywords:Acyclic polyenes  Graph theory
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