✦ LIBER ✦

Ab initio study on the reaction of H + BrCN

✍ Scribed by Song Ye; Shushan Dai

Book ID: 113258785
Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 393 KB
Volume: 362
Category: Article
ISSN: 0166-1280
DOI: 10.1016/0166-1280(95)04387-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio study of the reaction of H + I

Ab initio study of the reaction of H + ICN

✍ Song Ye; Shushan Dai 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 315 KB

Ab initio study of C + H+3 reactions

✍ D. Talbi; D.J. DeFrees 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 284 KB

Ab initio molecular orbital study on the

Ab initio molecular orbital study on the reaction of TMA with H2

✍ Hiraoka, Yishiko Someya; Mashita, Masao; Tada, Tsukasa; Yoshimura, Reiko 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 257 KB

Ab initio study on the reaction Sc+ + NH

Ab initio study on the reaction Sc+ + NH3 → Sc+NH + H2

✍ Ye Song 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 419 KB

A theoretical ab initio study on the H2N

A theoretical ab initio study on the H2NO + O3 reaction

✍ Julio Peiró–García; Víctor M. Ramírez–Ramírez; Ignacio Nebot–Gil 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 202 KB 👁 2 views

## Abstract The deviation of the NH~2~ pseudo‐first‐order decay Arrhenius plots of the NH~2~ + O~3~ reaction at high ozone pressures measured by experimentalists, has been attributed to the regeneration of NH~2~ radicals due to the subsequent reactions of the products of this reaction with ozone. A

Ab initio study on the reaction 2NH2→NH+

Ab initio study on the reaction 2NH2→NH+NH3

✍ Zhen-Feng Xu; De-Cai Fang; Xiao-Yuan Fu 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 207 KB 👁 2 views

The geometries of the reactant, products, and transition state of the title reaction were optimized at the UHF and UMP2 levels with the double and triple zeta basis sets as well as polarization functions by using the energy-gradient method. The potential-energy barrier for this reaction is 3.73 kcal