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ESR, NMR, and ENDOR studies of partially deuterated phenyl substituted anthracenes.. pi.-. sigma. Delocalization

R Biehl, K Hinrichs, H Kurreck, W Lubitz…

文献索引:Biehl,R. et al. Journal of the American Chemical Society, 1977 , vol. 99, # 13 p. 4278 - 4286

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被引用次数: 32

摘要

Conclusion The model potential developed in ref 2a has been shown to work quite well when used in an FSGO scheme for some organic compounds. The improvement over attempted calculations, employing more structured and more sophisticated potentials, is particularly noteworthy and seems to justify previous conclusions about the need to balance the extent of detailed structure in the description of core and valence regions. As a next ...