Discordant results on the FeO+ + H2 reaction reconciled by quantum Monte Carlo theory

Molecular Physics

Volumn 102, Issue 23-24, 2004, Pages 2635-2637

  Matxain, Jon M ^a   Mercero, Jose M ^a   Irigoras, Arantxa ^b   Ugalde, Jesus M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b MONDRAGON UNIVERSITY   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; GROUND STATE; IRON COMPOUNDS; IRON OXIDES; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; POTENTIAL ENERGY; REACTION KINETICS; TRANSITION METALS;

CORRELATION ENERGY; DIFFUSION QUANTUM MONTE CARLO (DMC); ELECTRONIC STATES; WAVE FUNCTION;

QUANTUM THEORY;

EID: 10944220511     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970412331292768     Document Type: Article

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