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Page 1
Free Radical Isomerizations in Acetylene Bromoboration Reaction.
Molecules. 2021 Apr 25;26(9):2501. doi: 10.3390/molecules26092501.
Molecules. 2021.
PMID: 33922945
Free PMC article.
Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach.
Bakker MJ, Mládek A, Semrád H, Zapletal V, Pavlíková Přecechtělová J.
Bakker MJ, et al. Among authors: semrad h.
Phys Chem Chem Phys. 2022 Nov 23;24(45):27678-27692. doi: 10.1039/d2cp01638a.
Phys Chem Chem Phys. 2022.
PMID: 36373847
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Mechanistic Analysis of Alkyne Haloboration: A DFT, MP2, and DLPNO-CCSD(T) Study.
Stošek J, Semrád H, Mazal C, Munzarová M.
Stošek J, et al. Among authors: semrad h.
J Phys Chem A. 2023 Aug 3;127(30):6135-6146. doi: 10.1021/acs.jpca.3c00607. Epub 2023 Jul 25.
J Phys Chem A. 2023.
PMID: 37489760
Free PMC article.
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Stereoselective Bromoboration of Acetylene with Boron Tribromide: Preparation and Cross-Coupling Reactions of (Z)-Bromovinylboronates.
Polášek J, Paciorek J, Stošek J, Semrád H, Munzarová M, Mazal C.
Polášek J, et al. Among authors: semrad h.
J Org Chem. 2020 Jun 5;85(11):6992-7000. doi: 10.1021/acs.joc.0c00341. Epub 2020 May 21.
J Org Chem. 2020.
PMID: 32436705
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