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Browsing by Subject "Density functional theory"

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The influence of Mg2+ coordination on 13C and 15N chemical shifts in CKI1RD protein domain from experiment and molecular dynamics/density functional theory calculations

Vícha, Jan; Babinský, Martin; Demo, Gabriel; Otrusinová, Olga; Jansen, Séverine; Pekárová, Blanka; Žídek, Lukáš; Munzarová, Markéta (John Wiley and Sons Inc., 2016)
Theoretical study of polaron binding energy in conformationally disrupted oligosilanes

Hanulíková, Barbora; Kuřitka, Ivo (Springer, 2014)

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