Swart M - Search Results

1

Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs.

Stasyuk OA, Solà M, Swart M, Fonseca Guerra C, Krygowski TM, Szatylowicz H. Stasyuk OA, et al. Among authors: swart m. Chemphyschem. 2020 Sep 15;21(18):2112-2126. doi: 10.1002/cphc.202000434. Epub 2020 Aug 17. Chemphyschem. 2020. PMID: 32643813

2

Hydrogen bonds of RNA are stronger than those of DNA, but NMR monitors only presence of methyl substituent in uracil/thymine.

Swart M, Fonseca Guerra C, Bickelhaupt FM. Swart M, et al. J Am Chem Soc. 2004 Dec 29;126(51):16718-9. doi: 10.1021/ja045276b. J Am Chem Soc. 2004. PMID: 15612698

3

Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods.

Swart M, Solà M, Bickelhaupt FM. Swart M, et al. J Comput Chem. 2007 Jul 15;28(9):1551-1560. doi: 10.1002/jcc.20653. J Comput Chem. 2007. PMID: 17342711

4

Pi-pi stacking tackled with density functional theory.

Swart M, van der Wijst T, Fonseca Guerra C, Bickelhaupt FM. Swart M, et al. J Mol Model. 2007 Dec;13(12):1245-57. doi: 10.1007/s00894-007-0239-y. Epub 2007 Sep 15. J Mol Model. 2007. PMID: 17874150 Free PMC article.

5

Nucleophilic substitution at phosphorus centers (SN2@p).

van Bochove MA, Swart M, Bickelhaupt FM. van Bochove MA, et al. Among authors: swart m. Chemphyschem. 2007 Dec 3;8(17):2452-63. doi: 10.1002/cphc.200700488. Chemphyschem. 2007. PMID: 17990249

6

Chemical reactivity of D3h C78 (metallo)fullerene: regioselectivity changes induced by Sc3N encapsulation.

Osuna S, Swart M, Campanera JM, Poblet JM, Solà M. Osuna S, et al. Among authors: swart m. J Am Chem Soc. 2008 May 14;130(19):6206-14. doi: 10.1021/ja711167v. Epub 2008 Apr 16. J Am Chem Soc. 2008. PMID: 18412347

7

Importance of the basis set for the spin-state energetics of iron complexes.

Güell M, Luis JM, Solà M, Swart M. Güell M, et al. Among authors: swart m. J Phys Chem A. 2008 Jul 17;112(28):6384-91. doi: 10.1021/jp803441m. Epub 2008 Jun 24. J Phys Chem A. 2008. PMID: 18572904

8

Rare tautomers of 1-methyluracil and 1-methylthymine: tuning relative stabilities through coordination to PtII complexes.

van der Wijst T, Fonseca Guerra C, Swart M, Bickelhaupt FM, Lippert B. van der Wijst T, et al. Among authors: swart m. Chemistry. 2009;15(1):209-18. doi: 10.1002/chem.200801476. Chemistry. 2009. PMID: 19058265

9

The Diels-Alder reaction on endohedral Y3N@C78: the importance of the fullerene strain energy.

Osuna S, Swart M, Solà M. Osuna S, et al. Among authors: swart m. J Am Chem Soc. 2009 Jan 14;131(1):129-39. doi: 10.1021/ja8048783. J Am Chem Soc. 2009. PMID: 19143094

10

A ditopic ion-pair receptor based on stacked nucleobase quartets.

van der Wijst T, Fonseca Guerra C, Swart M, Bickelhaupt FM, Lippert B. van der Wijst T, et al. Among authors: swart m. Angew Chem Int Ed Engl. 2009;48(18):3285-7. doi: 10.1002/anie.200900057. Angew Chem Int Ed Engl. 2009. PMID: 19338009

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