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Intermolecular Ab Initio Potential and Spectroscopy of the Ground State of HeI2 Complex Revisited

✍ Scribed by García-Gutierrez, Leonor; Delgado-Tellez, Laura; Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado-Barrio, Gerardo


Book ID
111896689
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
283 KB
Volume
113
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


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