## AbSbCt Collision experiments are reported for the generation and characterization of the neutral and cationic SisO, molecule. In addition to the experimental character&ion of Si202, high-level ab initio calculations ( CCSD (T ) /PVTZ//MP2/6-3 11 G (df ) ) have been performed in order to support
✦ LIBER ✦
Reactivity of [Ba(H2O)n⩽2]2+ with neutral molecules in the gas-phase: An experimental and DFT study
✍ Scribed by Huapeng Chen; Jing Liu; Duan Weng; Tujin Shi
- Book ID
- 116758460
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 865 KB
- Volume
- 1021
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Gas-phase characterization of the neutra
✍
Norman Goldberg; Muhammad Iraqi; Wolfram Koch; Helmut Schwarz
📂
Article
📅
1994
🏛
Elsevier Science
🌐
English
⚖ 508 KB
A DFT study of two-state reactivity on t
✍
Jian-Hui Zhang; Guo-Yong Feng; Yong-Cheng Wang; Xiao-Ming Wu
📂
Article
📅
2011
🏛
Elsevier
🌐
English
⚖ 724 KB
Sc + and N 2 O Density functional theory (DFT) Reaction mechanism Minimum energy crossing point (MECP) Spin-orbit coupling (SOC) a b s t r a c t The mechanism of spin-forbidden reaction of N 2 O (X 1 P ) with Sc + has been systematically explored via density functional calculations in order to inve
An ab initio MO study on electron transf
✍
Ohta, Katsuhisa.; Morokuma, Keiji.
📂
Article
📅
1987
🏛
American Chemical Society
🌐
English
⚖ 780 KB
DFT Study of N2O Activation with La+, Hf
✍
Jianhui Zhang; Yongcheng Wang; Yanli Leng; Fengxian Li
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 257 KB
Ab initio molecular orbital study of OH−
✍
M. Masamura
📂
Article
📅
2001
🏛
Elsevier Science
🌐
English
⚖ 127 KB
Systematic DFT Study of Gas Phase and So
✍
Maite Garcia-Hernandez; Christa Willnauer; Sven Krueger; Lyudmila V. Moskaleva;
📂
Article
📅
2006
🏛
John Wiley and Sons
⚖ 8 KB
👁 2 views