A time-dependent density functional study of a non-aromatic [1.1.1.1.1]-pentaphyrin and its lutetium complex

Journal of Physical Chemistry B

Volumn 116, Issue 35, 2012, Pages 10816-10823

  Ramos Sousa, Flavio Fortes ^a   Quartarolo, Angelo Domenico ^a   Sicilia, Emilia ^a   Russo, Nino ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

IONIZATION POTENTIAL; PORPHYRINS;

BASIS SETS; COSMO MODEL; DENSITY-FUNCTIONAL LEVEL; ELECTRONIC SPECTRUM; EXCHANGE-CORRELATION FUNCTIONALS; EXPANDED PORPHYRINS; PSEUDOPOTENTIAL METHOD; REACTION MECHANISM; TIME-DEPENDENT; TIME-DEPENDENT DENSITY;

DENSITY FUNCTIONAL THEORY;

EID: 84865963687     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3068359     Document Type: Article

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