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.

Počet záznamů: 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)

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SYSNO	0181599
Název	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)
Tvůrce(i)	Záliš, Stanislav (UFCH-W)_{RID, ORCID} Vlček, Antonín (UFCH-W)_{RID, ORCID} Daniel, CH. (FR)
Zdroj.dok.	Collection of Czechoslovak Chemical Communications. Roč. 68, č. 1 (2003), s. 89-104. - : Ústav organické chemie a biochemie AV ČR, v. v. i.
Druh dok.	Článek v odborném periodiku
Grant	OC D14.20 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy
CEZ	AV0Z4040901 - UFCH-W
Jazyk dok.	eng
Země vyd.	CZ
Klíč.slova	time dependent density functional * UV-VIS spectroscopy * DFT calculations
Trvalý link	http://hdl.handle.net/11104/0078142

Počet záznamů: 1