𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical studies on the unimolecular decomposition of nitroglycerin

✍ Scribed by Yan, Qingli; Zhu, Weihua; Pang, Aimin; Chi, Xuhui; Du, Xijuan; Xiao, Heming


Book ID
120808909
Publisher
Springer-Verlag
Year
2013
Tongue
English
Weight
480 KB
Volume
19
Category
Article
ISSN
1610-2940

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Theoretical study on the unimolecular de
✍ Ala'a H. Al-Muhtaseb; Mohammednoor Altarawneh; Mansour H. Almatarneh; Raymond A. πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 567 KB

## Abstract The potential energy surface for the unimolecular decomposition of thiophenol (C~6~H~5~SH) is mapped out at two theoretical levels; BB1K/GTlarge and QCISD(T)/6‐311+G(2d,p)//MP2/6‐31G(d,p). Calculated reaction rate constants at the high pressure limit indicate that the major initial chan

Theoretical Study of the Unimolecular De
✍ Shao-Kun Wang; Qing-Zhu Zhang; Hua Hou; Bin Wang; Fu-Xiang Liu; Yue-Shu Gu πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 278 KB

## Abstract The decomposition pathways of chloromethanol have been studied by __ab initio__ calculation. Equilibriums and transition states have been optimized at the UMP2(full)/6–31G(d) level. The single point energies have been obtained at higher level of G3 (MP2). Four transition states and eigh

Theoretical study of stationary structur
✍ Juan AndrΓ©s; JirΓ­ Krechl; Estanislao Silla πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 328 KB

The unimolecular decomposition of acetamidine to ammonia and acetoninile was examined by ab initio methods. Stationary points, i.e. the reactant, product and transition structures, have been characterized. The process has an asynchronous mechanism, the transition state being described as a four-memb