Mayer, István (2014) Covalent Bonding: The Role of Exchange Effects. JOURNAL OF PHYSICAL CHEMISTRY A, 118 (13). pp. 2543-2546. ISSN 1089-5639
|
Text
mayer-exchange-ms_2014.pdf Download (237kB) | Preview |
Official URL: http://pubs.acs.org/doi/abs/10.1021/jp501232u
Abstract
It is stressed that the two-center exchange energy componen ts lead to a significant lowering of the total molecular energy becau se of ex- clusion of self-repulsion, and this is inevitable for coval ent bond for- mation. The success of the two-center bond order index relie s on the fact that it gives a qualitative estimate of this important p henomenon.
| Item Type: | Article |
|---|---|
| Subjects: | Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia |
| SWORD Depositor: | MTMT SWORD |
| Depositing User: | MTMT SWORD |
| Date Deposited: | 18 Apr 2014 10:02 |
| Last Modified: | 16 Apr 2015 23:15 |
| URI: | http://real.mtak.hu/id/eprint/11424 |
Actions (login required)
 |
Edit Item |
