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A distributed multipole analysis of the charge densities of the azabenzene molecules

✍ Scribed by S.L. Price; A.J. Stone

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
404 KB
Volume
98
Category
Article
ISSN
0009-2614

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✦ Synopsis

SCF wavefunctions for the azabenzene molecules were analysed to obtain a distributedmultipole description of their charge distributions. This analysis showed that the charge distribution at each carbon and nitrogen atom depends systematically on the nature of the adjacent atoms in the ring.

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