Nitric oxide adsorption effects on metal phthalocyanines

Journal of Physical Chemistry B

Volumn 114, Issue 31, 2010, Pages 10017-10021

  Nguyen, Tien Quang ^a   Escaño, Mary Clare Sison ^a   Kasai, Hideaki ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FERMI LEVEL; FERMIONS; MANGANESE; MANGANESE COMPOUNDS; METALS; NITRIC OXIDE;

ADSORPTION EFFECT; CARBON ATOMS; D ORBITALS; FIRST-PRINCIPLES CALCULATION; HOMO-LUMO GAPS; INNER RINGS; METAL ATOMS; METALPHTHALOCYANINES; NO MOLECULE; NUMERICAL CALCULATION; OPTIMIZED GEOMETRIES; ORBITAL ENERGY LEVELS; TRANSITION METAL ATOMS;

ATOMS;

EID: 77955325157     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1035426     Document Type: Article

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