✦ LIBER ✦

Direct dynamics study on hydrogen abstraction reaction of CF3CHOHCF3 with OH radical

✍ Scribed by Ying Wang; Jing-Yao Liu; Ze-Sheng Li

Book ID: 108088913
Publisher: Elsevier Science
Year: 2007
Tongue: English
Weight: 338 KB
Volume: 335
Category: Article
ISSN: 0301-0104
DOI: 10.1016/j.chemphys.2007.03.014

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Direct dynamics study of hydrogen abstra

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

✍ Jing-Yao Liu; Ze-Sheng Li; Zhen-Wen Dai; Xu-Ri Huang; Chia-Chung Sun 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 239 KB

Direct dynamics study of the hydrogen ab

Direct dynamics study of the hydrogen abstraction reaction of CF3CH2Cl + Cl → CF3CHCl + HCl

✍ Yuan Zhao; Hongqing He; Jinglai Zhang; Li Wang 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 268 KB

Kinetic Study of OH Radical Reactions wi

Kinetic Study of OH Radical Reactions with CF3CClCCl2, CF3CClCClCF3 and CF3CF=CFCF3

✍ Dr. Pablo M. Cometto; Dr. Raúl A. Taccone; Dr. Jorge D. Nieto; Dr. Pablo R. Dalm 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 219 KB 👁 1 views

## Abstract The relative rate technique has been used to determine the rate constants of the reactions of OH radicals with CF~3~CClCCl~2~ (__k__~1~), CF~3~CClCClCF~3~ (__k__~2~) and CF~3~CFCFCF~3~ (__k__~3~). Experiments were carried out at (298±2) K and atmospheric pressure using ultrapure nitr

Theoretical studies on the reactions CH3

Theoretical studies on the reactions CH3SCH3 with OH, CF3, and CH3 radicals

✍ Hui Zhang; Gui-Ling Zhang; Jing-Yao Liu; Miao Sun; Bo Liu; Ze-Sheng Li 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 576 KB

The multiple-channel reactions OH 1 CH 3 SCH 3 ? products, CF 3 1 CH 3 SCH 3 ? products, and CH 3 1 CH 3 SCH 3 ? products are investigated by direct dynamics method. The optimized geometries, frequencies, and minimum energy path are all obtained at the MP2/6-311G(d,p) level, and energetic informatio

Ab initio direct dynamics studies on the

Ab initio direct dynamics studies on the hydrogen abstraction reactions of CF2H2 and CF3H with F atom

✍ Li Wang; Jing-yao Liu; Ze-sheng Li 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 256 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