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Molecular polarization in water chains

Hermansson, Kersti, Alfredsson, Maria (1999) Molecular polarization in water chains. Journal of Chemical Physics, 111 (5). pp. 1993-2000. ISSN 0021-9606. (doi:10.1063/1.479468) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:26093)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1063/1.479468

Abstract

Molecular dipole moments, charges, and difference electron densities have been calculated from Hartree-Fock calculations for each individual

n=1,...,12,infinity. The complementarity of the three properties is

polarization they all show that the polarization converges much faster

Moreover, the middle molecules in the long chains acquire an induced

charge transfer along the chains leaves only the central water

system dipole, a phenomenon which should arise also in small real

[S0021-9606(99)51324-X].

Item Type: Article
DOI/Identification number: 10.1063/1.479468
Subjects: Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > School of Physical Sciences
Depositing User: Maria Alfredsson
Date Deposited: 04 Dec 2010 23:57 UTC
Last Modified: 16 Feb 2021 12:37 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/26093 (The current URI for this page, for reference purposes)
Alfredsson, Maria: https://orcid.org/0000-0002-2843-1641
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