𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional calculations for a high energy density compound of formula C6H6−n(NO2)n

✍ Scribed by Wei-Jie Chi, Lu-Lin Li, Bu-Tong Li, Hai-Shun Wu


Book ID
111650454
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
428 KB
Volume
18
Category
Article
ISSN
1610-2940

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Density functional calculation of core-e
✍ Delano P. Chong; Germán Cavigliasso 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 177 KB 👁 1 views

The core-electron binding energies of six isomers of C H O and four 3 6 2 isomers of C H NO were calculated by a DFTruGTSrscaled-pVTZ approach. An average 3 5 absolute deviation from experiment of 0.15 eV was found for 14 C, N, and O 1 s energies. Ž . The results confirm the distinctive nature of t