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Page 1
A para- to meta-isomerization of phenols.
Nat Chem. 2024 Apr 17. doi: 10.1038/s41557-024-01512-1. Online ahead of print.
Nat Chem. 2024.
PMID: 38632366
Dearomatization of Biaryls through Polarity Mismatched Radical Spirocyclization.
Azpilcueta-Nicolas CR, Meng D, Edelmann S, Lumb JP.
Azpilcueta-Nicolas CR, et al. Among authors: edelmann s.
Angew Chem Int Ed Engl. 2023 Feb 1;62(6):e202215422. doi: 10.1002/anie.202215422. Epub 2022 Dec 29.
Angew Chem Int Ed Engl. 2023.
PMID: 36454656
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BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials.
Prasad VK, Pei Z, Edelmann S, Otero-de-la-Roza A, DiLabio GA.
Prasad VK, et al. Among authors: edelmann s.
J Chem Theory Comput. 2022 Jan 11;18(1):151-166. doi: 10.1021/acs.jctc.1c00694. Epub 2021 Dec 15.
J Chem Theory Comput. 2022.
PMID: 34911294
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Correction to "BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials".
Prasad VK, Pei Z, Edelmann S, Otero-de-la-Roza A, DiLabio GA.
Prasad VK, et al. Among authors: edelmann s.
J Chem Theory Comput. 2022 Jun 14;18(6):4041-4044. doi: 10.1021/acs.jctc.2c00362. Epub 2022 May 13.
J Chem Theory Comput. 2022.
PMID: 35549214
No abstract available.
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