Výpis publikací

KALLA, Erik; Hugo SEMRÁD; Lukáš MAIER; Kamil PARUCH; Hendrik ZIPSE a Markéta MUNZAROVÁ. Exploring the Regioselectivity of Diels–Alder Reactions of 2,6-Disubstituted Benzoquinones through DFT Calculations. European Journal of Organic Chemistry. Weinheim: Wiley-VCH GmbH, 2025, roč. 28, č. 43, s. "e202500661", 9 s. ISSN 1434-193X. Dostupné z: https://doi.org/10.1002/ejoc.202500661.

KEJÍK, Martin; Hugo SEMRÁD; Aleš STÝSKALÍK a Jiří PINKAS. Thermodynamics of the condensation of the Si8O20(SnMe3)8 building block with M-X (M = B, Al, Si, P, Ti, V, Zn, Sn, Sb, X = Cl, Me, Et) precursors by DFT-D3 calculations. CrystEngComm. Cambridge: RSC Publishing, 2025, roč. 27, č. 26, s. 4568-4581. ISSN 1466-8033. Dostupné z: https://doi.org/10.1039/d5ce00160a.

BRHELOVÁ, Michaela; Iveta TŘÍSKOVÁ; Libuše TRNKOVÁ; Hugo SEMRÁD; Markéta MUNZAROVÁ; Dominik HEGER; Dana NACHTIGALLOVA a Milan POTÁČEK. Synthesis, optical, electrochemical, and computational study of benzene/thiophene based D-π-A chromophores. RSC Advances. Cambridge: Royal Society of Chemistry, 2024, roč. 14, č. 48, s. 35424-35437. ISSN 2046-2069. Dostupné z: https://doi.org/10.1039/d4ra02668c.

MAIER, Lukáš; Dana NĚMEČKOVÁ; Naresh AKAVARAM; Erik KALLA; Hugo SEMRÁD; Olivie MATYASKOVÁ; Markéta MUNZAROVÁ; Petra DAĎOVÁ; Lukáš KUBALA; Jakub ŠVENDA a Kamil PARUCH. Unexpectedly Regioselective Diels-Alder Reactions of New Unsymmetrical Benzoquinones: A Convenient Synthetic Entry to Uniquely Substituted Decalins. Chemistry - A European Journal. Weinheim: Wiley, 2024, roč. 30, č. 55, s. 1-10. ISSN 0947-6539. Dostupné z: https://doi.org/10.1002/chem.202401068.

STOŠEK, Jakub; Hugo SEMRÁD; Ctibor MAZAL a Markéta MUNZAROVÁ. Mechanistic Analysis of Alkyne Haloboration: A DFT, MP2, and DLPNO-CCSD(T) Study. Journal of Physical Chemistry A. American Chemical Society, 2023, roč. 127, č. 30, s. 6135-6146. ISSN 1089-5639. Dostupné z: https://doi.org/10.1021/acs.jpca.3c00607.

KALLA, Erik; Hugo SEMRÁD; Miriama MATEÁŠOVÁ a Markéta MUNZAROVÁ. DFT Analysis of Diels-Alder Reactions for the Preparation of Forskolin Derivatives. In 18th Central European Symposium on Theoretical Chemistry, Balatonszárszó, Hungary. 2022.

BAKKER, Michael J.; Arnošt MLÁDEK; Hugo SEMRÁD; Vojtěch ZAPLETAL a Jana PAVLÍKOVÁ PŘECECHTĚLOVÁ. Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach. Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2022, roč. 24, č. 45, s. 27678-27692. ISSN 1463-9076. Dostupné z: https://doi.org/10.1039/D2CP01638A.

SEMRÁD, Hugo; Ctibor MAZAL a Markéta MUNZAROVÁ. Free Radical Isomerizations in Acetylene Bromoboration Reaction. Molecules. MDPI, 2021, roč. 26, č. 9, s. "2501", 15 s. ISSN 1420-3049. Dostupné z: https://doi.org/10.3390/molecules26092501.

POLÁŠEK, Jan; Hugo SEMRÁD; Jakub STOŠEK; Jan PACIOREK; Markéta MUNZAROVÁ a Ctibor MAZAL. Stereoselective Bromoboration of Acetylene with Boron Tribromide. A Simple preparation of (Z)-Bromovinylboronates. In XIIIth Workshop on Modern Methods in Quantum Chemistry. 2020. ISBN 978-80-973578-0-1.

POLÁŠEK, Jan; Jan PACIOREK; Jakub STOŠEK; Hugo SEMRÁD; Markéta MUNZAROVÁ a Ctibor MAZAL. Stereoselective Bromoboration of Acetylene with Boron Tribromide: Preparation and Cross-Coupling Reactions of (Z)-Bromovinylboronates. The Journal of Organic Chemistry. Washington, D.C.: American Chemical Society, 2020, roč. 85, č. 11, s. 6992-7000. ISSN 0022-3263. Dostupné z: https://doi.org/10.1021/acs.joc.0c00341.

SEMRÁD, Hugo a Markéta MUNZAROVÁ. Reaction Energetics & Diels-Alder Reaction Profiles for Enediones and Decalines by Means of DFT. In 17th Central European Symposium on Theoretical Chemistry. 2019.

SEMRÁD, Hugo a Markéta MUNZAROVÁ. A DFT Study of Radical Z/E Isomerization of BBr2C2H2Br. In 16th Central European Symposium on Theoretical Chemistry. 2018.

STOŠEK, Jakub; Hugo SEMRÁD; Polášek JAN; Ctibor MAZAL a Markéta MUNZAROVÁ. Experimental and quantum chemical studies of alkyne bromoboration. In 9th Barrande-Vltava French-Czech Chemistry Meeting. 2018.

BRHELOVÁ, Michaela; Milan POTÁČEK; Hugo SEMRÁD; Markéta MUNZAROVÁ; Iveta TŘÍSKOVÁ a Libuše TRNKOVÁ. Conjugated Aromatic systems in Synthesis and their Properties. In Jiří Ludvík, Ludmila Šimková. 50th Heyrovsky Discussions. 1. vyd. Praha: J. Heyrovského ústav fyzikální chemie, 2017, s. 79-79. ISBN 978-80-87351-43-7.

SEMRÁD, Hugo; Jakub STOŠEK; Pavel KUBÁČEK a Markéta MUNZAROVÁ. Orbital interactions between C2H2, BBr3, and HBr influencing stereospecificity of acetylene bromoboration. Online. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. WASHINGTON: AMER CHEMICAL SOC, 2017, s. "Amer Chem Soc"-"1", 2 s. ISSN 0065-7727.

SEMRÁD, Hugo; Jakub STOŠEK a Markéta MUNZAROVÁ. Ab initio studies of the acetylene bromoboration mechanism. In 52nd Symposium on Theoretical Chemistry - Chemistry in Solution, Ruhr Universitaet Bochum, 2016. 2016.

BRHELOVÁ, Michaela; Hugo SEMRÁD; Markéta MUNZAROVÁ; Iveta PILAŘOVÁ; Libuše TRNKOVÁ a Milan POTÁČEK. SYNTHESIS OF CONJUGATED AROMATIC SYSTEMS AND THEIR PROPERTIES. Online. In Libuše Trnková. XV. Workshop of Physical Chemists and Electrochemists. 1. vyd. Brno: Masarykova Univerzita, 2015, s. 137-141. ISBN 978-80-210-7857-4.

POTÁČEK, Milan; Michaela BRHELOVÁ; Markéta MUNZAROVÁ; Hugo SEMRÁD; Libuše TRNKOVÁ a Iveta PILAŘOVÁ. Synthesis of conjugated systems with nitrone skeleton. In 16th Blue Danube Symposium on Heterocyclic Chemistry, Programme & Book of Abstracts. 2015. ISBN 978-963-9970-55-7.