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Solubility of gases in liquids from the first-order perturbation theory of convex molecules

✍ Scribed by Boublik, Tomas; Lu, Benjamin C. Y.

Book ID: 120663813
Publisher: American Chemical Society
Year: 1978
Tongue: English
Weight: 641 KB
Volume: 82
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100515a010

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## Abstract A method for the determination of the symmetry of first‐order vectors in Hartree–Fock perturbation theory is developed. This leads to the definition of symmetry‐adapted basis vectors to be employed at first order in the perturbation. It is shown that computer time can be saved, to some