𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Computational Study of the Interactions among the Nitro Groups in Octanitrocubane

✍ Scribed by Hrovat, David A.; Borden, Weston Thatcher; Eaton, Philip E.; Kahr, Bart

Book ID
121326789
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
231 KB
Volume
123
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Computational analysis of some propertie
Computational analysis of some properties associated with the nitro groups in polynitroaromatic molecules
✍ Frank J. Owens; Keerthi Jayasuriya; Lars Abrahmsen; Peter Politzer πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 422 KB

It is shown. for a group of polynitroaromatic compounds, that the measured impact and shock sensitivities correlate well with the electrostatic potential at the midpoint of the longest C-NO2 bond, as calculated from the carbon and nitrogen atomic charges. The latter were computed from ab initio SCF