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The use of a point polarizable dipole in intermolecular potentials for water
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1998 (English)In: MOLECULAR PHYSICS, ISSN 0026-8976, Vol. 94, no 5, 873-876 p.Article in journal (Other scientific) Published
Abstract [en]

The total dipole moment of a pair of isolated water molecules that employ a point polarizable dipole is compared with the total dipole moment obtained from MP4 calculations for the same intermolecular orientation and distance. At all reasonable intermolec

Place, publisher, year, edition, pages
TAYLOR & FRANCIS LTD , 1998. Vol. 94, no 5, 873-876 p.
Keyword [en]
MOLECULAR-DYNAMICS; LIQUID WATER; DIELECTRIC-CONSTANT; MODEL; TEMPERATURES; SIMULATIONS; PRESSURES; FREQUENCY
Identifiers
URN: urn:nbn:se:uu:diva-84689OAI: oai:DiVA.org:uu-84689DiVA: diva2:112597
Note
Addresses: Alfredsson M, Uppsala Univ, Angstrom Lab, Box 538, SE-75121 Uppsala, Sweden. Uppsala Univ, Angstrom Lab, SE-75121 Uppsala, Sweden. Univ Coll London, Dept Geol Sci, London WC1E 6BT, England. Univ Trent, Ist Nazl Fis Mat, I-38050 Trent, Italy. UnAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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