Skip to main content

The use of a point polarizable dipole in intermolecular potentials for water

Alfredsson, Maria, Brodholt, John P., Hermansson, Kersti, Vallauri, Hermanson Renzo (1998) The use of a point polarizable dipole in intermolecular potentials for water. Molecular Physics, 94 (5). pp. 873-876. ISSN 0026-8976. (doi:10.1080/002689798167737) (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:26100)

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/10.1080/002689798167737

Abstract

The total dipole moment of a pair of isolated water molecules that employ a point polarizable dipole is compared with the total dipole

orientation and distance. At all reasonable intermolecular distances,

very good agreement with MP4. This suggests that the point polarizable

moments obtained frequently in molecular simulations of polarizable

point dipole approximation.

Item Type: Article
DOI/Identification number: 10.1080/002689798167737
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Maria Alfredsson
Date Deposited: 04 Dec 2010 23:39 UTC
Last Modified: 28 May 2019 15:53 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/26100 (The current URI for this page, for reference purposes)
  • Depositors only (login required):