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- Benchmark CCSD(T) and DFT study of binding energies in Be7-12: in search of reliable DFT functional for beryllium clusters / aut. Daniel Labanc, Martin Šulka, Michal Pitoňák, Ivan Černušák, Miroslav Urban, Pavel Neogrády
Labanc Daniel Šulka Martin ; 067000 Pitoňák Michal Černušák Ivan Urban Miroslav Neogrády Pavel
Molecular Physics . Vol. 116, iss. 10 (2018), s. 1259-1274
benchmark Density functional theory (DFT) calculations Density Functional Theory
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- The Molecular and Crystal Structures of 2-Iodokojic Acid: Experimental and Theoretical Determination
Šimo František ; C2190 Moncoľ Ján ; C2190 Šípoš Rastislav ; C2190 Padělková Zdeňka Šima Jozef ; C2190
Journal of Chemical Crystallography . Vol. 41, Iss. 8 (2011), s.1093-1098
Kojic acid Crystal structure Molecular structure Hydrogen bonds X-ray diffraction Density functional theory (DFT) calculations
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