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The semiempirical quantum chemical PM6 method augmented by dispersion and H-bonding correction terms describes reliably various types of non-covalent complexes
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SYSNO 0327894 Title The semiempirical quantum chemical PM6 method augmented by dispersion and H-bonding correction terms describes reliably various types of non-covalent complexes Author(s) Řezáč, Jan (UOCHB-X) RID, ORCID
Fanfrlík, Jindřich (UOCHB-X) RID, ORCID
Salahub, D. (CA)
Hobza, Pavel (UOCHB-X) RID, ORCIDSource Title Journal of Chemical Theory and Computation . Roč. 5, č. 7 (2009), s. 1749-1760. - : American Chemical Society Document Type Článek v odborném periodiku Grant LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) Language eng Country US Keywords hydrogen bonding * dispersion Permanent Link http://hdl.handle.net/11104/0174336
Number of the records: 1