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Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes.
Vlahovic, Filip; Peric, Marko; Gruden-Pavlovic, Maja; Zlatar, Matija.
Afiliação
  • Vlahovic F; Innovation center of the Faculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Republic of Serbia.
  • Peric M; Department of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoseva 12, 11000 Belgrade, Republic of Serbia.
  • Gruden-Pavlovic M; Faculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Republic of Serbia.
  • Zlatar M; Department of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoseva 12, 11000 Belgrade, Republic of Serbia.
J Chem Phys ; 142(21): 214111, 2015 Jun 07.
Article em En | MEDLINE | ID: mdl-26049483
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2015 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2015 Tipo de documento: Article