Ab initio molecular orbital calculations at the QCISD (T) /6-3 1 G\* level on the isomers of Si2BH3 indicate the global minimum to be a hydrogen-bridged structure with 2x electron delocalization and planar tetra coordination around boron. Disilaborirene, analogous to borirene, lies slightly higher i
โฆ LIBER โฆ
Reaction mechanism of hydroboration. Ab initio MO study on the C2H4 + BH3 reaction
โ Scribed by Nagase, Shigeru; Ray, N. K.; Morokuma, Keiji
- Book ID
- 127225271
- Publisher
- American Chemical Society
- Year
- 1980
- Tongue
- English
- Weight
- 279 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Ab initio MO studies on the isomers of S
โ
G. Subramanian; Eluvathingal D. Jemmis; Bharatam V. Prasad
๐
Article
๐
1994
๐
Elsevier Science
๐
English
โ 459 KB
Ab Initio MO Study of the Triplet C 3 H
โ
Le, Trung Ngoc; Lee, Hwa-yu; Mebel, Alexander M.; Kaiser, Ralf I.
๐
Article
๐
2001
๐
American Chemical Society
๐
English
โ 301 KB
Ab initio molecular orbital study of the
โ
Yuzuru Kurosaki
๐
Article
๐
2000
๐
Elsevier Science
๐
English
โ 205 KB
Ab Initio Chemical Kinetic Study on the
โ
Zhu, R. S.; Lin, M. C.
๐
Article
๐
2010
๐
American Chemical Society
๐
English
โ 349 KB
An alternative mechanism of BH2SH format
โ
Alexander M. Mebel; Djamaladdin G. Musaev; Keiji Morokuma
๐
Article
๐
1993
๐
Elsevier Science
๐
English
โ 411 KB
An alternative mechanism of mercaptoborane, BH,SH, formation is proposed for the reaction of BzHs with SH2. It involves concerted elimination of BH3 and H2 from the H2SB2Hs complex and the highest energy on the pathway relative to SH, + B2H6 is 27.4 kcal/mol at MP4(SDTQ)/6-31 +G(2d, p)//MP2(FULL)/6\
Ab initio study on the reaction Sc+ + NH
โ
Ye Song
๐
Article
๐
1995
๐
Elsevier Science
๐
English
โ 419 KB