On analytic potential functions and molecular dynamics for reactions on metal surfaces
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference17 articles.
1. Structure and dynamics of water at the Pt(111) interface: Molecular dynamics study
2. Comparison of the structure and dynamics of water at the Pt(111) and Pt(100) interfaces: molecular dynamics study
3. A molecular dynamics study of the effect of temperature on the structure and dynamics of water between Pt walls
4. Computer simulation of the water/platinum interface
5. Computer simulation of the water/platinum interface. Dynamical results
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1. Large-Scale Computations in Chemistry: A Bird’s Eye View of a Vibrant Field;Chemical Reviews;2015-04-08
2. Modeling the kinetics of large sets of reactions on metal surfaces;Russian Journal of Physical Chemistry B;2007-08
3. Use of Force Fields in Materials Modeling;Reviews in Computational Chemistry;2007-01-05
4. INVESTIGATION OF THE ENERGETICS OF THE DECOMPOSITION OF AZOMETHANE ON Pd(111): THE UBI–QEP APPROACH;Surface Review and Letters;2003-12
5. Density functional calculation of a potential energy surface for alkane thiols on Au(111) as function of alkane chain length;Chemical Physics Letters;2003-11
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