Browsing by Subject "DFT calculations"

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Experimental and theoretical evidence of spin-orbit heavy atom on the light atom(1)H NMR chemical shifts induced through H...I(-)hydrogen bond

Vícha, Jan; Švec, Petr; Růžičková, Zdeňka; Samsonov, Maksim A.; Bártová, Kateřina; Růžička, Aleš; Straka, Michal; Dračínský, Martin (Wiley-VCH Verlag, 2020)
Nicotinamide-based supergelator self-assembling via asymmetric hydrogen bonding NH⋯OC and H⋯Br− pattern for reusable, moldable and self-healable nontoxic fuel gels

Kasák, Peter; Hrobárik, Peter; Osička, Josef; Soláriková, Dominika; Horváth, Branislav; Tkáč, Ján; Sadasivuni, Kishor K.; AlMaadeed, Mariam A.; Mikláš, Roman (Academic Press Inc., 2021)
Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones

Babjaková, Eva; Dastychová, Lenka; Hanulíková, Barbora; Kuřitka, Ivo; Nečas, Marek; Vašková, Hana; Vícha, Robert (Elsevier, 2015)
Theoretical and experimental studies of IR and NMR spectra of gem-2,2-diamino-4,4,6,6-tetraphenoxy-1,3,5-cyclo-triaza-lambda5-phosphorine

Dastychová, Lenka; Dastych, Dalibor; Kubáček, P.; Alberti, M. (Ústav organické chemie a biochemie Akademie věd České republiky (ÚOCHB), 2010)

Now showing items 1-4 of 4

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