Density functial theory study of pyrrole adsorption on Mo(110)

Journal of Physical Chemistry B

Volumn 109, Issue 21, 2005, Pages 10863-10870

  Abdallah, Wa'el A ^a   Nelson, Alan E ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; CALCULATIONS; CATALYST ACTIVITY; DECOMPOSITION; HYDROGEN; MOLECULAR STRUCTURE; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; SURFACE PROPERTIES; TEMPERATURE DISTRIBUTION;

ADSORPTION MODES; DENSITY FUNCTIONAL THEORY (DFT); LINEAR SYNCHRONOUS TRANSIT (LST); PYRROLE;

MOLYBDENUM COMPOUNDS;

EID: 20544444224     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050565n     Document Type: Article

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