What is the energy barrier for H2 dissociation on Group 13 sub-nanosized metal cluster to form dihydride? Density functional dependence study

Chemical Physics Letters

Volumn 482, Issue 1-3, 2009, Pages 15-19

  Moc, Jerzy ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DENSITY FUNCTIONALS; DFT METHOD; DIHYDRIDES; GENERALIZED GRADIENT APPROXIMATIONS; METAL CLUSTER; NANO-SIZED; REACTION PATHWAYS;

DISSOCIATION; FLUORINE CONTAINING POLYMERS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 72049087193     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.10.006     Document Type: Article

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