Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory
Author:
Affiliation:
1. Institute of Physical Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
2. Department of Materials, ETH Zürich, Wolfgang-Pauli-Strasse 27, CH-8093 Zürich, Switzerland
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jz401931f
Reference76 articles.
1. Comparison of simple potential functions for simulating liquid water
2. A reappraisal of what we have learnt during three decades of computer simulations on water
3. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
4. Predictions of the Properties of Water from First Principles
5. Water properties from first principles: Simulations by a general-purpose quantum mechanical polarizable force field
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