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Computational analysis of the structures, bond properties, and electrostatic potentials of some nitrotetrahedranes and nitroazatetrahedranes

✍ Scribed by Politzer, Peter; Seminario, Jorge M.

Book ID
120385586
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
484 KB
Volume
93
Category
Article
ISSN
0022-3654

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## Abstract We have carried out a computational study of hydrazine and five of its 1,1‐dimethyl derivatives, focusing on their electrostatic potentials and relative bond strengths. Our approach has involved the calculation of ab initio self‐consistent‐field molecular orbital wave functions and mole