DUBLIN | CORE | METADATA ITEM | METADATA FOR THIS DOCUMENT |
1 | Title | Title of Document | Hydroalumination of Cyclopropane: A Transition State Study |
2 | Creator | Author's name, affiliation, country | SATYA PRAKASH SINGH* and POMPOZHI PROTASIS THANKACHAN Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee - 247667, India |
3 | Subject | Dicipline(s) | Chemical Science |
3 | Subject | Keywords | Hydroalumination, Cyclopropane, Transition state, Propylalane |
4 | Description | Abstract | The hydroalumination of cyclopropane has been investigated using the B3LYP density functional method employing several split-valence basis sets. It is shown that the reaction proceeds via a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported. |
5 | Publishers | Organizing agency, location | WWW Publications, India |
6 | Contributor | Sponsor(s) | - |
7 | Date | Date (YYYY-MM-DD) | - |
8 | Type | Status & genre | Peer-reviewed Article |
8 | Type | Type | |
9 | Formate | File Formate | PDF |
10 | Identifier | Uniform Resource Identifier | Click Here |
10 | Identifier | Digital Object Identifier | |
11 | Source | Journal/conference title; vol., no. (Year) | Chemical Science Transactions, Volume 2 , Number (3), (2013) |
12 | Lanuguage | English=en | en |
13 | Relation | Supp.files | |
14 | Coverage | | - |
15 | Copyright | Copyright and permissions | |