✦ LIBER ✦

Direct Dynamics Study on the Hydrogen Abstraction Reaction PH 3 + H → PH 2 + H 2

✍ Scribed by Yu, Xin; Li, Shen-Min; Liu, Jing-Yao; Xu, Zhen-Feng; Li, Ze-Sheng; Sun, Chia-Chung

Book ID: 121213024
Publisher: American Chemical Society
Year: 1999
Tongue: English
Weight: 55 KB
Volume: 103
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp990367u

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Direct Dynamics Study on the Hydrogen Ab

Direct Dynamics Study on the Hydrogen Abstraction Reaction N 2 H 4 + H → N 2 H 3 + H 2

✍ Li, Qian Shu; Zhang, Xin; Zhang, Shao Wen 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 131 KB

Direct Dynamics Study on the Hydrogen Ab

Direct Dynamics Study on the Hydrogen Abstraction Reaction CH 2 O + HO 2 → CHO + H 2 O 2

✍ Li, Qian Shu; Zhang, Xin; Zhang, Shao Wen 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 226 KB

Direct Dynamics Study on the Reaction of

Direct Dynamics Study on the Reaction of N 2 H 4 with F Atom: A Hydrogen Abstraction Reaction?

✍ Zhang, Xin; Li, Qian Shu 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 321 KB

Direct ab Initio Dynamics Study on the H

Direct ab Initio Dynamics Study on the Hydrogen Abstraction Reaction of CH 3 CCl 3 + OH → CH 2 CCl 3 + H 2 O

✍ Liu, Jing-yao; Li, Ze-sheng; Dai, Zhen-wen; Huang, Xu-ri; Sun, Chia-chung 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 104 KB

Direct dynamic study on the hydrogen abs

Direct dynamic study on the hydrogen abstraction reaction of H2CO with NCO

✍ Hao Sun; Xu-Ri Huang; Xiu-Mei Pan; Rong-Shun Wang; Chia-Chung Sun 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 191 KB

Direct dynamic study on the hydrogen abs

Direct dynamic study on the hydrogen abstraction reaction CH3CN + OH → CH2CN + H2O

✍ Qian-Shu Li; Chao Yang Wang 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB 👁 2 views

## Abstract The reaction of acetonitrile with hydroxyl has been studied using the direct __ab initio__ dynamics methods. The geometries, vibrational frequencies of the stationary points, as well as the minimum energy paths were computed at the BHandHLYP and MP2 levels of theory with the 6‐311G(d, p