Ab Initio Molecular Dynamics Simulations of the Adsorption of H-2 on Palladium Surfaces

Erstveröffentlichung

2010

Authors

Gross, Axel

Wissenschaftlicher Artikel

Published in

ChemPhysChem ; 11 (2010), 7, SI. - S. 1374-1381. - ISSN 1439-4235. - eISSN 1439-7641

Link to publication

https://dx.doi.org/10.1002/cphc.200900818

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: absorption | computational chemistry | density functional calculations | energy dissipation | hydrogen | 6-DIMENSIONAL QUANTUM DYNAMICS | POTENTIAL-ENERGY SURFACE | GENERALIZED GRADIENT APPROXIMATION | DIRECT SUBSURFACE ABSORPTION | DISSOCIATIVE CHEMISORPTION | HYDROGEN ADSORPTION | CLASSICAL DYNAMICS | METAL-SURFACES | PD(100) | SULFUR
[DDC subject group]: DDC 530 / Physics | DDC 540 / Chemistry & allied sciences

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