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    0500250 - ÚFCH JH 2019 RIV US eng J - Journal Article
    Hollas, D. - Šištík, L. - Hohenstein, E. G. - Martínez, T. J. - Slavíček, Petr
    Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method.
    Journal of Chemical Theory and Computation. Roč. 14, č. 1 (2018), s. 339-350. ISSN 1549-9618. E-ISSN 1549-9626
    Grant - others:GA ČR(CZ) GA13-34168S
    Institutional support: RVO:61388955
    Keywords : quantum chemistry * ethylene * density-functional theory
    OECD category: Physical chemistry
    Impact factor: 5.313, year: 2018
    Permanent Link: http://hdl.handle.net/11104/0292351
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    0500250.pdf2715.5 KBPublisher’s postprintrequire
     
     

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