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Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra

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    0194406 - UOCHB-X 20020072 RIV US eng J - Journal Article
    Bouř, Petr - Keiderling, T. A.
    Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra.
    Journal of Chemical Physics. Roč. 117, č. 9 (2002), s. 4126-4132. ISSN 0021-9606. E-ISSN 1089-7690
    R&D Projects: GA AV ČR IAA4055104; GA ČR GA203/01/0031
    Institutional research plan: CEZ:AV0Z4055905
    Keywords : vibrational spectra
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.998, year: 2002
    Permanent Link: http://hdl.handle.net/11104/0090081
     

Number of the records: 1  

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