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
Index: Barbe, Werner; Beckhaus, Hans-Dieter; Ruechardt, Christoph Chemische Berichte, 1983 , vol. 116, # 3 p. 1042 - 1057
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Citation Number: 27
Abstract
... 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. ...
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