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Ground-state diatomic potentials. Part 2.?Van der Waals molecules

✍ Scribed by Huxley, Philip; Knowles, David B.; Murrell, John N.; Watts, John D.

Book ID
119965562
Publisher
The Royal Society of Chemistry
Year
1984
Weight
900 KB
Volume
80
Category
Article
ISSN
0300-9238

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Ab initio calculations of intermolecular
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✍ F. J. Olivares Del Valle; S. Tolosa; A. Lopez PiΓ±eiro; A. Requena πŸ“‚ Article πŸ“… 1985 πŸ› John Wiley and Sons 🌐 English βš– 492 KB

Hartree-Fock computations of the potential surface of Ar-H, have been carried out and supplemented with calculations of the dispersion energy, with use of the counterpoise method to remove the basis set superposition error. The collinear and perpendicular bisector geometries are considered. The resu