New investigations of geometric, electronic, and spectroscopic properties of tetrapyrrolic macrocycles by a TD-DFT approach. Carbon, nitrogen, and chalcogen (O, S, Se) peripheral substitution effects on Ni(II) porphyrazinato complexes

  1. Infante, I.
  2. Lelj, F.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9618

Année de publication: 2007

Volumen: 3

Número: 3

Pages: 838-851

Type: Article

DOI: 10.1021/CT6003609 GOOGLE SCHOLAR

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