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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0181599 - UFCH-W 20030026 RIV CZ eng J - Článek v odborném periodiku
Záliš, Stanislav - Vlček, Antonín - Daniel, CH.
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).
Collection of Czechoslovak Chemical Communications. Roč. 68, č. 1 (2003), s. 89-104. ISSN 0010-0765
Grant CEP: GA MŠMT OC D14.20
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: time dependent density functional * UV-VIS spectroscopy * DFT calculations
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.041, rok: 2003
Trvalý link: http://hdl.handle.net/11104/0078142

Počet záznamů: 1