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Electrostatic potentials and relative bond strengths of some nitro- and nitrosoacetylene derivatives

✍ Scribed by Politzer, Peter; Bar-Adon, Ruth


Book ID
120077892
Publisher
American Chemical Society
Year
1987
Tongue
English
Weight
679 KB
Volume
109
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES


A computational analysis of the electros
✍ Jane S. Murray; Nagamani Sukumar; Shoba Ranganathan; Peter Politzer πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 900 KB

## 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