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Weak intermolecular interaction

IV. An application of the function counterpoise method to the calculation of the interaction energy and its components

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Abstract

The function counterpoise method [1] was applied in the determination of the SCF interaction energy and its components between two molecules of hydrogen. Calculations were carried out for the rectangular and linear configurations of (H2)2 dimer.

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References

  1. Boys,S.F., Bernardi,F.: Mol. Phys.19, 553 (1970)

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  2. Urban,M., Hobza,P.: Theoret. Chim. Acta (Berl.)36, 207 (1975)

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  3. Johansson,A., Kollman,P., Rothenberg,S.: Theoret. Chim. Acta (Berl.)29, 167 (1973)

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  4. Kochanski,E.: J. Chem. Phys.58, 5823 (1973)

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  5. Kochanski,E., Roos,B., Siegbahn,P., Wood,M.H.: Theoret. Chim. Acta (Berl.)32, 151 (1973)

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Authors and Affiliations

  1. Department of Physical Chemistry, Komenský University, 80100, Bratislava, Czechoslovakia

    Miroslav Urban

  2. Institute of Hygiene and Epidemiology, 10042, Praha 10, Czechoslovakia

    Pavel Hobza

Authors
  1. Miroslav Urban
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  2. Pavel Hobza
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Urban, M., Hobza, P. Weak intermolecular interaction. Theoret. Chim. Acta 36, 215–220 (1975). https://doi.org/10.1007/BF00572561

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  • DOI: https://doi.org/10.1007/BF00572561

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