| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394830 | Computational and Theoretical Chemistry | 2012 | 6 Pages |
Abstract
⺠Theoretical calculations are applied to conformational study of (z)-[(2-iminoethylidone)silyl]amine. ⺠The NBO and AIM analyses were used to discuss the origin of conformational preference and hydrogen bond strength. ⺠We calculated energy gap of HOMO-LUMO to explain the eventual charge transfer interaction within the conformers.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Conformational study of the (z)-[(2-iminoethylidone)silyl]amine at the MP2, DFT and G2MP2 levels](/preview/png/5394830.png "First Page Preview: Conformational study of the (z)-[(2-iminoethylidone)silyl]amine at the MP2, DFT and G2MP2 levels")
Authors
Heidar Raissi, Mehdi Yoosefian, Samaneh Khoshkhou,