Accurate and feasible computations of structural and magnetic properties of large free radicals: The PBE0/N07D model

Chemical Physics Letters

Volumn 454, Issue 1-3, 2008, Pages 139-143

  Barone, Vincenzo ^a   Cimino, Paola ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; DIFFUSION; MAGNETIC PROPERTIES; OPTIMIZATION; POLARIZATION;

COMPUTATIONAL COSTS; VALENCE PROPERTIES;

FREE RADICALS;

EID: 39749102169     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.01.080     Document Type: Article

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