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

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

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

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Citation Number: 32

Abstract

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 ...