Daru J - Search Results

1

Selective Reduction of Esters to Access Aldehydes Using Fiddler Crab-Type Boranes.

Dudás Á, Gyömöre Á, Mészáros BB, Gondár S, Adamik R, Fegyverneki D, Papp D, Otte KB, Ayala S Jr, Daru J, Répási J, Soós T. Dudás Á, et al. Among authors: daru j. J Am Chem Soc. 2025 Jan 8;147(1):1112-1122. doi: 10.1021/jacs.4c14596. Epub 2024 Dec 26. J Am Chem Soc. 2025. PMID: 39723648 Free PMC article.

2

Total Synthesis and Structural Plasticity of Kratom Pseudoindoxyl Metabolites.

Angyal P, Hegedüs K, Mészáros BB, Daru J, Dudás Á, Galambos AR, Essmat N, Al-Khrasani M, Varga S, Soós T. Angyal P, et al. Among authors: daru j. Angew Chem Int Ed Engl. 2023 Aug 28;62(35):e202303700. doi: 10.1002/anie.202303700. Epub 2023 Jul 18. Angew Chem Int Ed Engl. 2023. PMID: 37332089

3

Emerging Conformational-Analysis Protocols from the RTCONF55-16K Reaction Thermochemistry Conformational Benchmark Set.

Mészáros BB, Kubicskó K, Németh DD, Daru J. Mészáros BB, et al. Among authors: daru j. J Chem Theory Comput. 2024 Sep 10;20(17):7385-7392. doi: 10.1021/acs.jctc.4c00565. Epub 2024 Jun 20. J Chem Theory Comput. 2024. PMID: 38899777

4

Bioinspired Synthesis of (-)-Hunterine A: Deciphering the Key Step in the Biogenetic Pathway.

Zsigulics B, Angyal P, Mészáros BB, Daru J, Varga S, Soós T. Zsigulics B, et al. Among authors: daru j. Chemistry. 2024 Dec 12:e202404501. doi: 10.1002/chem.202404501. Online ahead of print. Chemistry. 2024. PMID: 39665524

5

Efficient direct 2,2,2-trifluoroethylation of indoles via C-H functionalization.

Tolnai GL, Székely A, Makó Z, Gáti T, Daru J, Bihari T, Stirling A, Novák Z. Tolnai GL, et al. Among authors: daru j. Chem Commun (Camb). 2015 Mar 14;51(21):4488-91. doi: 10.1039/c5cc00519a. Chem Commun (Camb). 2015. PMID: 25682991 Free article.

6

Divided Saddle Theory: A New Idea for Rate Constant Calculation.

Daru J, Stirling A. Daru J, et al. J Chem Theory Comput. 2014 Mar 11;10(3):1121-7. doi: 10.1021/ct400970y. J Chem Theory Comput. 2014. PMID: 26580187

7

Mechanism of the Pechmann reaction: a theoretical study.

Daru J, Stirling A. Daru J, et al. J Org Chem. 2011 Nov 4;76(21):8749-55. doi: 10.1021/jo201439u. Epub 2011 Oct 11. J Org Chem. 2011. PMID: 21932799

8

Mechanistic study of silver-mediated furan formation by oxidative coupling.

Daru J, Benda Z, Póti Á, Novák Z, Stirling A. Daru J, et al. Chemistry. 2014 Nov 17;20(47):15395-400. doi: 10.1002/chem.201404302. Epub 2014 Oct 5. Chemistry. 2014. PMID: 25284602

9

Nuclear Quantum Effects in Liquid Water Are Marginal for Its Average Structure but Significant for Dynamics.

Stolte N, Daru J, Forbert H, Behler J, Marx D. Stolte N, et al. Among authors: daru j. J Phys Chem Lett. 2024 Dec 12;15(49):12144-12150. doi: 10.1021/acs.jpclett.4c02925. Epub 2024 Nov 28. J Phys Chem Lett. 2024. PMID: 39607891

10

Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water.

Stolte N, Daru J, Forbert H, Marx D, Behler J. Stolte N, et al. Among authors: daru j. J Chem Theory Comput. 2025 Jan 14. doi: 10.1021/acs.jctc.4c01382. Online ahead of print. J Chem Theory Comput. 2025. PMID: 39808506

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