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1980•International Journal of Quantum ChemistryRequires access

Theoretical study of some Van der Waals molecules

W Kołos, G. Corongiu, E. Clementi

Open publisher page 34 citations

Abstract

Abstract The Van der Waals molecules Ar · HF, Ar · H2O, and Ar · HCl have been analyzed with potential surfaces obtained by SCF energies corrected for the basis set superposition error and by including dispersion forces. The computed properties for these Van der Waals molecules are in good agreement with recent experimental observations.

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Abstract The Van der Waals molecules Ar · HF, Ar · H2O, and Ar · HCl have been analyzed with potential surfaces obtained by SCF energies corrected for the basis set superposition error and by including dispersion forces. The computed properties for these Van der Waals molecules are in good agreement with recent experimental observations.

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Available abstract

Abstract The Van der Waals molecules Ar · HF, Ar · H2O, and Ar · HCl have been analyzed with potential surfaces obtained by SCF energies corrected for the basis set superposition error and by including dispersion forces. The computed properties for these Van der Waals molecules are in good agreement with recent experimental observations.

Key concepts: van der Waals force, Van der Waals strain, Van der Waals surface, London dispersion force, Van der Waals radius, Hamaker constant, Molecule, Chemistry

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