Radikal??Stabilisierungsenergie–das MMEVBH??Kraftfeld

…, V Staemmler, M Neumann, C Schmuck

文献索引：Roth, Wolfgang R.; Staemmler, Volker; Neumann, Martin; Schmuck, Carsten Liebigs Annalen, 1995 , # 6 p. 1061 - 1118

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摘要

Making use of the VB method of Malrieu et a1. 16-101 a force field has been developped, which allows to calculate heats of formation of hydrocarbons (conjugated and non- conjugated olefins, radicals, and diradicals) with high accuracy. With this method radical stabilization energies (17SE) for a great number of delocalized radicals are calculated and compared with experimental values, derived from shock-tube measurements of ...