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. ...

Structure-activity relationships of pregabalin and analogues...

[Belliotti, Thomas R.; Capiris, Thomas; Ekhato, I. Victor; Kinsora, Jack J.; Field, Mark J.; Heffner, Thomas G.; Meltzer, Leonard T.; Schwarz, Jacob B.; Taylor, Charles P.; Thorpe, Andrew J.; Vartanian, Mark G.; Wise, Lawrence D.; Zhi-Su, Ti; Weber, Mark L.; Wustrow, David J. Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2294 - 2307]