| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394933 | Computational and Theoretical Chemistry | 2011 | 5 Pages |
Abstract
⺠The two isomers (A and B) of croconic acid and their dimers have been examined by density functional methods. ⺠Isomer A has a lower (more negative) energy than isomer B. ⺠The hydrogen bonding between two molecules of B is stronger than that between two molecules of A. ⺠The formation of dimers by hydrogen bonding from all possible sites has been examined.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
C.N. Ramachandran, Eli Ruckenstein,