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

Stephan N. Steinmann (1) , Rodrigo Ferreira de Morais (1) , Andreas W. Götz (2) , Paul Fleurat-Lessard (1) , Marcella Iannuzzi (3) , Philippe Sautet (1) , Carine Michel (1)

1 LC - Laboratoire de Chimie - UMR5182
2 UC San Diego - University of California [San Diego]
3 UZH - Universität Zürich [Zürich] = University of Zurich

Domaines: Chimie théorique et/ou physique

Stephan N. Steinmann, Rodrigo Ferreira de Morais, Andreas W. Götz, Paul Fleurat-Lessard, Marcella Iannuzzi, et al.. Force Field for Water over Pt(111): Development, Assessment, and Comparison. Journal of Chemical Theory and Computation, 2018, 14 (6), pp.3238 - 3251. ⟨10.1021/acs.jctc.7b01177⟩. ⟨hal-01817174⟩