A theoretical study of interaction of ethylene with Cuz is considered using SCF/CASSCF/MP2 methods. The calculated dissociation energy is in good agreement with available experimental data. Our studies reveal that the perpendicular approach of Cu2 is more favored than the parallel approach. The stro
โฆ LIBER โฆ
The theoretical study of (2 + 2) cycloadditions - the concerted ethylene dimerizations reaction
โ Scribed by Luke A. Burke; Georges Leroy
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 647 KB
- Volume
- 88
- Category
- Article
- ISSN
- 0037-9646
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Reaction of the copper dimer with ethyle
โ
S. Roszak; K. Balasubramanian
๐
Article
๐
1994
๐
Elsevier Science
๐
English
โ 599 KB
Theoretical Study on the Mechanism of th
โ
Xiu-Hui Lu; Hai-Bin Yu; Yue-Hua Xu; Wei-Rong Wu
๐
Article
๐
2006
๐
John Wiley and Sons
๐
English
โ 70 KB
๐ 2 views
A theoretical study of the chemical reac
โ
P.N. Skancke
๐
Article
๐
1977
๐
Elsevier Science
๐
English
โ 575 KB
The interaction between the molecules ethylene and cis-NzH2 has been studied using a double-zeta gaussian basis in a series of ab initio SCF calculations. The results obtained indicate that the synchronous hydrogen transfer reaction is a onestep reaction having an activation energy of around 60 kcal
A Theoretical Study on the Mechanism of
โ
Lu Xiu-Hui; Yu Hai-Bin; Wu Wei-Rong
๐
Article
๐
2005
๐
John Wiley and Sons
๐
English
โ 85 KB
๐ 2 views
Theoretical Study on the Mechanism of th
โ
Xiu-Hui Lu; Yue-Hua Xu; Hai-Bin Yu; Huang Lin
๐
Article
๐
2005
๐
John Wiley and Sons
๐
English
โ 77 KB
๐ 2 views
Theoretical Study on the Mechanism of th
โ
Xiu-Hui Lu; Li-Min Zhai; Wei-Rong Wu
๐
Article
๐
2010
๐
John Wiley and Sons
๐
English
โ 319 KB
๐ 2 views