𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Links between surface electrostatic potentials of energetic molecules, impact sensitivities and C–NO 2 /N–NO 2 bond dissociation energies

✍ Scribed by Murray, Jane S.; Concha, Monica C.; Politzer, Peter

Book ID
120440588
Publisher
Taylor and Francis Group
Year
2009
Tongue
English
Weight
598 KB
Volume
107
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Substituent Effect on the C–NO2 and N–NO
Substituent Effect on the C–NO2 and N–NO2 Bond Dissociation Energies of Nitroaromatic Molecules
✍ Ming FANG; Ming; Zhe LI; Yao FU 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 91 KB 👁 1 views

## Abstract Six density function theory methods (B3LYP, B3P86, MPWB1K1, MPWPW91, PBEPBE, TPSS1KCIS3) were used to calculate bond dissociation enthalpies of nitro compounds, where the B3P86 method was found to give the most accurate predictions. Using the B3P86 method __meta__‐ and __para__‐substitu

A relationship between impact sensitivit
A relationship between impact sensitivity and the electrostatic potentials at the midpoints of CNO2 bonds in nitroaromatics
✍ Jane S. Murray; Pat Lane; Peter Politzer; Paul R. Bolduc 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 369 KB

We have modified and extended an earlier relationship between nitroaromatic impact sensitivity and electrostatic potentials at the midpoints of C-NO2 bonds. Because of the anomalous effect of the hydroxyl group on nitroaromatic sensitivities, possibly due to the formation of unstable nitronic acid t