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The helium–, neon–, and argon–cyclopropane van der Waals complexes: Ab initio ground state intermolecular potential energy surfaces and intermolecular dynamics

✍ Scribed by Pedersen, Thomas Bondo; Fernández, Berta; Koch, Henrik; Makarewicz, Jan


Book ID
126786451
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
371 KB
Volume
115
Category
Article
ISSN
0021-9606

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Ab initio calculations of intermolecular
✍ F. J. Olivares Del Valle; S. Tolosa; A. Lopez Piñeiro; A. Requena 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 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