Vibration−Rotation−Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers-Reference-Cited by-同舟云学术

Vibration−Rotation−Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers

Published:2009-05-28 Issue:44 Volume:113 Page:12285-12294
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Leforestier Claude¹,van Harrevelt Rob²,van der Avoird Ad²

Affiliation:

1. Institut Charles Gerhardt Montpellier, UMR 5253-UM2-CNRS-ENSCM-UM1, CTMM, Bâtiment 15, CC 1501, Université Montpellier 2, 34095 Montpellier, Cedex 05, France

2. Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9020257

Reference43 articles.

1. Predictions of the Properties of Water from First Principles

2. Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water

3. An accurate analytic representation of the water pair potential

4. Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface

5. Ab Initio Potential Energy and Dipole Moment Surfaces of (H2O)2

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