The hydrogen atom transfer reaction between substituted methanes (substituents; H, F, CH3, OH, and CN) and methyl radicals was studied by 4-31G (UHF) calculations using the MINDO/3 geometries. The transition state structures and energy barriers were determined, and variations of the transition state
โฆ LIBER โฆ
Theoretical study on the reaction of hydrogen atoms with aniline
โ Scribed by Marwan Batiha; Mohammednoor Altarawneh; Abdullah Alsofi; Mohammad Al-Harahsheh; Ibrahem Altarawneh; Saleh Alrawadieh
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 672 KB
- Volume
- 129
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Theoretical studies on the hydrogen atom
โ
Bon-Su Lee; Ikchoon Lee; Chang Hyun Song; Jae Young Choi
๐
Article
๐
1985
๐
John Wiley and Sons
๐
English
โ 550 KB
Experimental and theoretical studies of
โ
A. Goumri; W.-J. Yuan; Luying Ding; Youchun Shi; Paul Marshall
๐
Article
๐
1993
๐
Elsevier Science
๐
English
โ 814 KB
Theoretical study on the reactions of tr
โ
Yuan Zhang; Hui Zhang; Jing-Yao Liu; Xue-Mei Duan; Ze-Sheng Li
๐
Article
๐
2011
๐
Springer
๐
English
โ 730 KB
On the reaction of graphite with atomic
โ
Yoshihiko Hirooka; Madoka Nagae; Tadao Sano
๐
Article
๐
1983
๐
Elsevier Science
๐
English
โ 492 KB
Theoretical studies on the reactions of
โ
Hui Zhang; Gui-ling Zhang; Jing-yao Liu; Miao Sun; Bo Liu; Ze-sheng Li
๐
Article
๐
2008
๐
Springer
๐
English
โ 437 KB
A theoretical analysis of the reaction b
โ
James A. Miller; Carl F. Melius
๐
Article
๐
1992
๐
John Wiley and Sons
๐
English
โ 572 KB
Using BAC-MP4 potential-surface parameters, supplemented by an MP2 normal-mode analysis at one transition state, and statistical theoretical methods, we have computed thermal rate coefficients for the reactions, (1) Over the entire temperature range considered, 300 K < T < 3300 K, reaction (2) is