The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N, N'-di-alkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)

Name: The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N, N'-di-alkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)
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Záliš, Stanislav; Vlček, Antonín; Daniel, CH.

Number of the records: 1

The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N, N'-di-alkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)

1.

SYSNO	0181599
Title	The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N, N'-di-alkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)
Author(s)	Záliš, Stanislav (UFCH-W)_{RID, ORCID} Vlček, Antonín (UFCH-W)_{RID, ORCID} Daniel, CH. (FR)
Source Title	Collection of Czechoslovak Chemical Communications. Roč. 68, č. 1 (2003), s. 89-104. - : Ústav organické chemie a biochemie AV ČR, v. v. i.
Document Type	Článek v odborném periodiku
Grant	OC D14.20 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z4040901 - UFCH-W
Language	eng
Country	CZ
Keywords	time dependent density functional * UV-VIS spectroscopy * DFT calculations
Permanent Link	http://hdl.handle.net/11104/0078142

Number of the records: 1