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Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology
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SYSNO 0489512 Title Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology Author(s) Gutten, Ondrej (UOCHB-X) [640/64] RID, ORCID
Bím, Daniel (UOCHB-X) [640/64] ORCID, RID
Řezáč, Jan (UOCHB-X) [610/61] RID, ORCID
Rulíšek, Lubomír (UOCHB-X) [640/64] RID, ORCIDCorespondence/senior Rulíšek, Lubomír - Korespondující autor Source Title Journal of Chemical Information and Modeling. Roč. 58, č. 1 (2018), s. 48-60. - : American Chemical Society Document Type Článek v odborném periodiku Grant GA17-24155S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic Institutional support UOCHB-X - RVO:61388963 Language eng Country US Keywords reduction potentials * correlation energy * aqueous solution Permanent Link http://hdl.handle.net/11104/0283913
Number of the records: 1