Ab initio study of Kubas-type dihydrogen fixation onto d-orbital states of Ca adatoms

Chemical Physics Letters

Volumn 513, Issue 4-6, 2011, Pages 256-260

  Cha, Janghwan ^a   Choi, Cheol Ho ^b   Park, Noejung ^a  

^a Ulsan National Institute of Science and Technology   (South Korea)

^b Kyungpook National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; BINDING STATE; BINDING STRENGTH; DENSITY FUNCTIONALS; DIHYDROGEN; EXCHANGE FUNCTIONAL; ORBITAL STATE; ORBITALS; VALENCIES;

ADATOMS; ADSORPTION; GRAPHENE; STABILIZATION;

CALCIUM;

EID: 80052489383     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.08.008     Document Type: Article

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