The nature of NOx species on BaO(100): An Ab initio molecular dynamics study

Journal of Physical Chemistry B

Volumn 109, Issue 32, 2005, Pages 15410-15416

  Broqvist, Peter ^a   Panas, Itai ^a   Grönbeck, Henrik ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BARIUM COMPOUNDS; COMPUTER SIMULATION; DYNAMIC RESPONSE; MOLECULAR VIBRATIONS; NITRATES; NITROGEN OXIDES; THERMAL EFFECTS;

MOLECULAR DYNAMICS SIMULATIONS; NITRITES; SPILLOVER MECHANISMS; VIBRATIONAL SIGNATURES;

MOLECULAR DYNAMICS;

EID: 24344481994     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053178m     Document Type: Article

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