Mgr. Hugo Semrád, Ph.D.
Lektor II, Department of Chemistry
Correspondence Address:
Kotlářská 267/2, 611 37 Brno
Office: bldg. C12/309
Kamenice 753/5
625 00 Brno
Phone: | +420 549 49 8100 |
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social and academic networks: |
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Total number of publications: 14
2023
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Mechanistic Analysis of Alkyne Haloboration: A DFT, MP2, and DLPNO-CCSD(T) Study
Journal of Physical Chemistry A, year: 2023, volume: 127, edition: 30, DOI
2022
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DFT Analysis of Diels-Alder Reactions for the Preparation of Forskolin Derivatives
Year: 2022, type: Conference abstract
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Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach
Physical Chemistry Chemical Physics, year: 2022, volume: 24, edition: 45, DOI
2021
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Free Radical Isomerizations in Acetylene Bromoboration Reaction
Molecules, year: 2021, volume: 26, edition: 9, DOI
2020
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Stereoselective Bromoboration of Acetylene with Boron Tribromide. A Simple preparation of (Z)-Bromovinylboronates
Year: 2020, type: Conference abstract
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Stereoselective Bromoboration of Acetylene with Boron Tribromide: Preparation and Cross-Coupling Reactions of (Z)-Bromovinylboronates
The Journal of Organic Chemistry, year: 2020, volume: 85, edition: 11, DOI
2019
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Reaction Energetics & Diels-Alder Reaction Profiles for Enediones and Decalines by Means of DFT
Year: 2019, type: Conference abstract
2018
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A DFT Study of Radical Z/E Isomerization of BBr2C2H2Br
Year: 2018, type: Conference abstract
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Experimental and quantum chemical studies of alkyne bromoboration
Year: 2018, type: Conference abstract
2017
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Conjugated Aromatic systems in Synthesis and their Properties
50th Heyrovsky Discussions, year: 2017