𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Direct dynamics study of hydrogen abstraction using density functional theory: CF3CHFCF3+O(3P)→CF3CFCF3+OH reaction

✍ Scribed by Jing-Yao Liu; Ze-Sheng Li; Zhen-Wen Dai; Xu-Ri Huang; Chia-Chung Sun


Book ID
108429352
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
239 KB
Volume
286
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab-initio study of the energetics and th
✍ W.C. Kreye 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 497 KB

Ab-initio computations at 298.15 K were made of the activation quantities AH\*, AS\*, and AG\* and of the reaction quantities AH r and AS r for is the transition state (TS). GAUSS-IAN92 was used and energies computed at a slightly modified Gaussian-2 level. Two potential surfaces for the TS had sym

Discharge flow-chemiluminescence study o
✍ M. A. Teruel; R. A. Taccone; S. I. Lane 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 93 KB 👁 2 views

The kinetics of the reactions O( 3 P) ϩ CF 2 "CCl 2 and O( 3 P) ϩ CF 3 CF "CF 2 were studied at room temperature in a discharge flow tube system. The overall rate constants based on the measured afterglow reactions were (3.10 Ϯ 0.40) ϫ 10 Ϫ13 and (3.00 Ϯ 0.60) ϫ 10 Ϫ14 cm 3 molecule Ϫ1 s Ϫ1 , respec