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- W1625644804 abstract "The calculated interaction energies of two HF and two H2O molecules are presented using both mutually consistent field (MCF) and perturbation theoretical schemes. Instead of the monopole approximation, the direct integration of the potentials was used in these calculations. It is found that the results in both schemes agree quantitatively with the supermolecule results calculated with the same basis set. Also presented are the interaction energies of two three molecular systems, 2HF plus H3O+ and 2HF plus H+. These calculations were made using the monopole approximation in all the three schemes supermolecule, MCF, and perturbation method. The MCF results indicate that the interaction energy between the two HF molecules depends strongly on the position of the third partner. On the other hand, one finds that the perturbation theoretical scheme is not able to describe this effect. In addition to the above, the dispersion interaction energy has been calculated for all the investigated systems." @default.
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- W1625644804 date "1977-01-01" @default.
- W1625644804 modified "2023-09-27" @default.
- W1625644804 title "Investigation of the interaction between molecules at medium distances" @default.
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- W1625644804 doi "https://doi.org/10.1016/0301-0104(77)85132-x" @default.
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