Development of transferable interaction models for water. III. Reparametrization of an all-atom polarizable rigid model (TTM2–R) from first principles-Reference-Cited by-同舟云学术

Development of transferable interaction models for water. III. Reparametrization of an all-atom polarizable rigid model (TTM2–R) from first principles

Published:2002-01-22 Issue:4 Volume:116 Page:1500-1510
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Burnham Christian J.,Xantheas Sotiris S.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1423942

Reference36 articles.

1. Development of transferable interaction models for water. I. Prominent features of the water dimer potential energy surface

2. CI study of the water dimer potential surface

3. The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2–21) and the phonon spectrum of ice Ih

4. Towards an accurate intermolecular potential for water

5. Revised Anisotropic Site Potentials for the Water Dimer and Calculated Properties

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