Dračínský M - Search Results

1

Striking Impact of Solvent Polarity on the Strength of Hydrogen-Bonded Complexes: A Nexus Between Theory and Experiment.

Lo R, Manna D, Vacek J, Bouř P, Wu T, Osifová Z, Socha O, Dračínský M, Hobza P. Lo R, et al. Among authors: dracinsky m. Angew Chem Int Ed Engl. 2024 Dec 23:e202422594. doi: 10.1002/anie.202422594. Online ahead of print. Angew Chem Int Ed Engl. 2024. PMID: 39714343

2

The Stability of Hydrogen-Bonded Ion-Pair Complex Unexpectedly Increases with Increasing Solvent Polarity.

Manna D, Lo R, Vacek J, Miriyala VM, Bouř P, Wu T, Osifová Z, Nachtigallová D, Dračinský M, Hobza P. Manna D, et al. Among authors: dracinsky m. Angew Chem Int Ed Engl. 2024 May 13;63(20):e202403218. doi: 10.1002/anie.202403218. Epub 2024 Apr 4. Angew Chem Int Ed Engl. 2024. PMID: 38497312

3

Computational Analysis of Solvent Effects in NMR Spectroscopy.

Dračínský M, Bouř P. Dračínský M, et al. J Chem Theory Comput. 2010 Jan 12;6(1):288-99. doi: 10.1021/ct900498b. Epub 2009 Nov 23. J Chem Theory Comput. 2010. PMID: 26614339

4

The Existence of a N→C Dative Bond in the C₆₀ -Piperidine Complex.

Lamanec M, Lo R, Nachtigallová D, Bakandritsos A, Mohammadi E, Dračínský M, Zbořil R, Hobza P, Wang W. Lamanec M, et al. Among authors: dracinsky m. Angew Chem Int Ed Engl. 2021 Jan 25;60(4):1942-1950. doi: 10.1002/anie.202012851. Epub 2020 Nov 24. Angew Chem Int Ed Engl. 2021. PMID: 33022841

5

The stability of covalent dative bond significantly increases with increasing solvent polarity.

Lo R, Manna D, Lamanec M, Dračínský M, Bouř P, Wu T, Bastien G, Kaleta J, Miriyala VM, Špirko V, Mašínová A, Nachtigallová D, Hobza P. Lo R, et al. Among authors: dracinsky m. Nat Commun. 2022 Apr 19;13(1):2107. doi: 10.1038/s41467-022-29806-3. Nat Commun. 2022. PMID: 35440662 Free PMC article.

6

Hydrogen-Bonding Interactions of 8-Substituted Purine Derivatives.

Osifová Z, Šála M, Dračínský M. Osifová Z, et al. Among authors: dracinsky m. ACS Omega. 2023 Jul 1;8(28):25538-25548. doi: 10.1021/acsomega.3c03244. eCollection 2023 Jul 18. ACS Omega. 2023. PMID: 37483191 Free PMC article.

7

Dimerization of Acetic Acid in the Gas Phase-NMR Experiments and Quantum-Chemical Calculations.

Socha O, Dračínský M. Socha O, et al. Among authors: dracinsky m. Molecules. 2020 May 4;25(9):2150. doi: 10.3390/molecules25092150. Molecules. 2020. PMID: 32375390 Free PMC article.

8

Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties.

Kessler J, Dračínský M, Bouř P. Kessler J, et al. Among authors: dracinsky m. J Comput Chem. 2013 Feb 15;34(5):366-71. doi: 10.1002/jcc.23143. Epub 2012 Oct 10. J Comput Chem. 2013. PMID: 23047456

9

Vibrational averaging of the chemical shift in crystalline α-glycine.

Dračínský M, Bouř P. Dračínský M, et al. J Comput Chem. 2012 Apr 15;33(10):1080-9. doi: 10.1002/jcc.22940. Epub 2012 Feb 16. J Comput Chem. 2012. PMID: 22410968

10

Determination of absolute configuration in chiral solvents with nuclear magnetic resonance. A combined molecular dynamics/quantum chemical study.

Kessler J, Dračínský M, Bouř P. Kessler J, et al. Among authors: dracinsky m. J Phys Chem A. 2015 May 28;119(21):5260-8. doi: 10.1021/jp509988e. Epub 2014 Dec 2. J Phys Chem A. 2015. PMID: 25411905

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