Photophysical properties of fluorescent N-purin-6-ylpyridinium chloride

B Skalski, RP Steer, RE Verrall

Index: Skalski, B.; Steer, R. P.; Verrall, R. E. Journal of the American Chemical Society, 1988 , vol. 110, # 7 p. 2055 - 2061

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Citation Number: 8

Abstract

Conclusions While conjugated hydrocarbons were successfully dealt with by molecular mechanics years ago, the introduction of heteroatoms poses special problems. Firstly, information vital to good parameterization, such as, accurate structures, rotational barriers, heats of formation, dipole moments, etc., is very scarce for heterocycles. There are not enough model compounds to allow for unique choices of parameters. Secondly, ...