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Electron population analysis. Gross atomic charges in molecules

✍ Scribed by R.E. Christoffersen; K.A. Baker


Book ID
103009095
Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
495 KB
Volume
8
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


A definition of "gross atomic populatjon" is proposed in which the arbitrary division of individual overlap'terms is not needed. The proposed definition Is applied to La. BH. HF. and H80. . . '1:.


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