| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5393466 | Computational and Theoretical Chemistry | 2015 | 27 Pages |
Abstract
Cutting the bonds one by one is the way to calculate the total dissociation energy of a multiply bonded molecule, while dealing with simple 3-structure valence bond wave functions at each step. The results are amazingly accurate and provide unique information on the individual bonds that make up the multiple bond.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
K. Hendrickx, B. Braida, P. Bultinck, P.C. Hiberty,