Force Field for Water over Pt(111): Development, Assessment, and Comparison-Reference-Cited by-同舟云学术

Force Field for Water over Pt(111): Development, Assessment, and Comparison

Published:2018-04-16 Issue:6 Volume:14 Page:3238-3251
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Steinmann Stephan N.¹^ORCID,Ferreira De Morais Rodrigo¹,Götz Andreas W.²^ORCID,Fleurat-Lessard Paul³^ORCID,Iannuzzi Marcella⁴^ORCID,Sautet Philippe^ORCID,Michel Carine¹^ORCID

Affiliation:

1. Univ Lyon, Ecole Normale Supérieure de Lyon, CNRS Université Lyon 1, Laboratoire de Chimie UMR 5182, 46 allée d’Italie, F-69364 Lyon, France

2. San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States

3. Institut de Chimie Moléculaire de l’Université de Bourgogne (ICMUB, UMR 6302, CNRS), Université de Bourgogne Franche-Comté, 9 Avenue Alain Savary, 21078 Dijon, France

4. Institut für Chemie, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland

Funder

Division of Chemistry

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01177

Reference114 articles.

1. Towards the computational design of solid catalysts