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Ab initiocalculation of the first order term of the intermolecular energy near the van der Waals minimum

✍ Scribed by E. Kochanski; J. F. Gouyet


Publisher
Springer
Year
1975
Tongue
English
Weight
457 KB
Volume
39
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES


Ab initio calculations of intermolecular
✍ 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