Cationic Van-der-Waals complexes : theoretical study of Ar2H+ structure and stability
- The electronic and geometric structure, stability and molecular properties of the cationic van-der-Waals complex Ar2H+ in its ground electronic state are studied by means of two ab-initio quantum-chemical approaches: conventional configuration interaction (multi-reference and coupled cluster methods) and a diatomics-in-molecules model with ab-initio input data.
| Author details: | Thomas Ritschel, Lutz Zülicke, Philip J. Kuntz |
|---|---|
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2004 |
| Publication year: | 2004 |
| Release date: | 2017/03/24 |
| Source: | Zeitschrift für Physikalische Chemie. - 218 (2004), 4, S. 377 - 389 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| Peer review: | Nicht ermittelbar |
