𝔖 Bobbio Scriptorium

✦ LIBER ✦

Periodic density functional theory study of the high-pressure behavior of energetic crystalline 1,4-dinitrofurazano[3, 4-b]piperazine

✍ Scribed by Wentao Wang, Weihua Zhu, Jinshan Li, Bibo Cheng, Heming Xiao

Book ID: 118790069
Publisher: Springer-Verlag
Year: 2012
Tongue: English
Weight: 944 KB
Volume: 19
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-012-1547-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Derived 4H-pyrazole as a reactive interm

Derived 4H-pyrazole as a reactive intermediate in the transformation of cyclic malonic hydrazide into 1,5-dichloro-1,4-cyclohexadiene through a Diels–Alder reaction with substituted cyclopropenes. AM1 semiempirical and B3LYP density functional theory studies of the cycloaddition reaction of one pyrazole tautomer with cyclopropene

✍ Branko S Jursic 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 174 KB

Combined Density Functional Theory and M

Combined Density Functional Theory and Molecular Mechanics (QM/MM) Study of Single-Site Ethylene Polymerization and Chain Termination for the Catalysts [(C 6 R 5 NCH)C 4 H 3 N] 2 PrTi + (R = F, H) and [bis(η 5 -1-indenyl)dimethylsilane]PrZr + in the Presence of the Counterion CH 3 B(C 6 F 5 ) 3-

✍ Vanka, Kumar; Xu, Zhitao; Ziegler, Tom 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 271 KB