## Abstract The radical‐molecule reaction mechanism of CH~3~ with NO~x~ (__x__ = 1, 2) has been explored theoretically at the B3LYP/6‐311G(d,p) and MC‐QCISD (single‐point) levels of theory. For the singlet potential energy surface (PES) of the CH~3~ + NO~2~ reaction, it is found that the carbon to
✦ LIBER ✦
Theoretical model of the mechanism study on the positive magnetoresistance in the heterostructure composed of two oxides
✍ Scribed by Kui-juan Jin; Hui-bin Lu; Qing-li Zhou; Kun Zhao; Guo-zhen Yang
- Book ID
- 108184282
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 277 KB
- Volume
- 303
- Category
- Article
- ISSN
- 0304-8853
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Theoretical study on the reaction mechan
✍
Jia-Xu Zhang; Jing-Yao Liu; Ze-Sheng Li; Chia-Chung Sun
📂
Article
📅
2005
🏛
John Wiley and Sons
🌐
English
⚖ 511 KB
Theoretical study of the two-dimensional
✍
Yu, Tsung-Hsing; Brennan, Kevin F.
📂
Article
📅
2001
🏛
American Institute of Physics
🌐
English
⚖ 349 KB
A theoretical study on the mechanism of
✍
Attila Kovács; Dénes S. Nemcsok; György Keglevich
📂
Article
📅
2007
🏛
John Wiley and Sons
🌐
English
⚖ 444 KB
## Abstract DFT computations have been performed on selected stationary points of the reaction path (reactants, intermediates, and products) of the Baeyer–Villiger type oxidation of 7‐phosphanorbornene 7‐oxide derivatives. Our computations justified the relevance of a Criegee‐type intermediate form
Theoretical study on the mechanism and r
✍
M. Manoharan; P. Venuvanalingam
📂
Article
📅
1995
🏛
Elsevier Science
🌐
English
⚖ 274 KB
Theoretical studies on living systems in
✍
Ernest C. Pollard
📂
Article
📅
1965
🏛
Elsevier Science
🌐
English
⚖ 669 KB
A theoretical study on the activation of
✍
Yi-Yu Ke; Thy-Hou Lin
📂
Article
📅
2005
🏛
Elsevier Science
🌐
English
⚖ 762 KB