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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 - Journal Article
    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
    R&D Projects: GA MŠMT OC D14.20
    Institutional research plan: CEZ:AV0Z4040901
    Keywords : time dependent density functional * UV-VIS spectroscopy * DFT calculations
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 1.041, year: 2003
    Permanent Link: http://hdl.handle.net/11104/0078142
     

Number of the records: 1  

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