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Molecular polarization in water chains
Uppsala University.
Uppsala University.
1999 (English)In: JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, Vol. 111, no 5, 1993-2000 p.Article in journal (Other scientific) Published
Abstract [en]

Molecular dipole moments, charges, and difference electron densities have been calculated from Hartree-Fock calculations for each individual molecule along geometry-optimized water chains with n=1,...,12,infinity. The complementarity of the three properti

Place, publisher, year, edition, pages
AMER INST PHYSICS , 1999. Vol. 111, no 5, 1993-2000 p.
Keyword [en]
DIPOLE-MOMENT; VIBRATIONAL FREQUENCY; LIQUID WATER; OH; ABINITIO; ICE; CLUSTERS; FIELDS; MODEL
Identifiers
URN: urn:nbn:se:uu:diva-84626OAI: oai:DiVA.org:uu-84626DiVA: diva2:112534
Note
Addresses: Hermansson K, Univ Uppsala, Angstrom Lab, Box 538, S-75121 Uppsala, Sweden. Univ Uppsala, Angstrom Lab, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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