Ground and Excited States of [M(H2timdt)2] Neutral Dithiolenes (M = Ni, Pd, Pt; H2timdt = Monoanion of Imidazolidine-2,4,5-trithione): Description within TDDFT and Scalar Relativistic (ZORA) Approaches

Journal of Physical Chemistry A

Volumn 107, Issue 45, 2003, Pages 9679-9687

  Romaniello, Pina ^a   Aragoni, M C ^b   Arca, M ^b   Cassano, T ^c   Denotti, C ^b   Devillanova, F A ^b   Isaia, F ^b   Lelj, Francesco ^a   Lippolis, V ^b   Tommasi, R ^c  

^a UNIVERSITY OF BASILICATA   (Italy)

^b Dipto di Chim Inorg ed Analitica   (Italy)

^c Dipartimento di Fisica   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; GROUND STATE; NEODYMIUM LASERS; PHOTOCHEMICAL REACTIONS; PROBABILITY DENSITY FUNCTION;

EXCITED STATES; IONIC LIGANDS;

AROMATIC COMPOUNDS;

EID: 10744224807     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034758r     Document Type: Article

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