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：Barbe, Werner; Beckhaus, Hans-Dieter; Ruechardt, Christoph Chemische Berichte, 1983 , vol. 116, # 3 p. 1042 - 1057

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被引用次数: 27

摘要

... Volume: Page: Digital Object Identifier (DOI). ... Some calculation examples of eigenvalues X 1CC and X 2CC are listed in Table 3. The calculation procedure can be briefly divided into three steps. ...