Density functional calculations of the hydrogen adsorption on transition metals and their alloys. An application to catalysis

Langmuir

Volumn 15, Issue 18, 1999, Pages 5773-5780

  Romanowski, S ^a   Bartczak, W M ^a,b   Wesolkowski R ^b  

^a UNIVERSITY OF LODZ   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CATALYSIS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; DISSOCIATION; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC DENSITY OF STATES; HYDROGEN; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TRANSITION METALS;

CATALYTIC EFFECTS; DENSITY FUNCTIONAL CALCULATION; ELECTRON EXCHANGE; QUANTUM CHEMICAL CALCULATIONS;

ADSORPTION;

EID: 0033171371     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la981339q     Document Type: Article

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