A new approach of evaluating bond dissociation energy from eigenvalue of bonding orbital-connection matrix for CC and CH bonds in alkane

C Cao, H Yuan

文献索引：Hellmann, Siegried; Beckhaus, Hans-Dieter; Ruechardt, Christoph Chemische Berichte, 1983 , vol. 116, # 6 p. 2238 - 2249

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被引用次数: 27

摘要

... Volume: Page: Digital Object Identifier (DOI). ... If the chemical potentials (or energy level) of orbitals 1 and 2 in eq 6 are in low (large electronegativity), the formed carbon−carbon bond will be strong, in other words, its bond dissociation energy will be large. ...