Dynamics on Six-Dimensional Potential Energy Surfaces for H2/Cu(111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE-Reference-Cited by-同舟云学术

Dynamics on Six-Dimensional Potential Energy Surfaces for H2/Cu(111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE

Published:2010-06-08 Issue:25 Volume:114 Page:11192-11201
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Díaz C.¹,Olsen R. A.¹,Busnengo H. F.¹,Kroes G. J.¹

Affiliation:

1. Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands, and Instituto de Física de Rosario (CONICET-Universidad Nacional de Rosario), Av. Pellegrini 250, 2000 Rosario, Argentina

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp1027096

Reference95 articles.

1. Reactions at surfaces studied by ab initio dynamics calculations

2. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces

3. SIX-DIMENSIONAL DYNAMICS OF DISSOCIATIVE CHEMISORPTION OF H2 ON METAL SURFACES

4. A model potential for chemisorption: H2+W(001)

5. Atomic recombination dynamics on a solid surface: H2+W(001)

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