| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394293 | Computational and Theoretical Chemistry | 2013 | 7 Pages |
Abstract
⺠We tested if Li2nB2nH2n+2 (n = 2-7) chains are viable species. ⺠The global minimum structure of Li4B4H6 has the trans-cisoid kernel of B atoms. ⺠The trans-cisoid form of Li2nB2nH2n+2 is much more stable than the cis-transoid form. ⺠Li2nB2nH2n+2 (n = 2-7) with the trans-cisoid kernel of B atoms are minima on the PES.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ivan A. Popov, Alexander I. Boldyrev,