Fonseca Guerra C - Search Results

1

B-DNA Structure and Stability: The Role of Nucleotide Composition and Order.

Nieuwland C, Hamlin TA, Fonseca Guerra C, Barone G, Bickelhaupt FM. Nieuwland C, et al. Among authors: fonseca guerra c. ChemistryOpen. 2022 Feb;11(2):e202200013. doi: 10.1002/open.202200013. ChemistryOpen. 2022. PMID: 35103418 Free PMC article.

2

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis.

Fonseca Guerra C, Handgraaf JW, Baerends EJ, Bickelhaupt FM. Fonseca Guerra C, et al. J Comput Chem. 2004 Jan 30;25(2):189-210. doi: 10.1002/jcc.10351. J Comput Chem. 2004. PMID: 14648618

3

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. Among authors: fonseca guerra c. J Am Chem Soc. 2004 Dec 29;126(51):16718-9. doi: 10.1021/ja045276b. J Am Chem Soc. 2004. PMID: 15612698

4

Structure and bonding of methyl alkali metal molecules.

Bickelhaupt FM, Solà M, Fonseca Guerra C. Bickelhaupt FM, et al. Among authors: fonseca guerra c. J Mol Model. 2006 Jul;12(5):563-8. doi: 10.1007/s00894-005-0056-0. Epub 2006 Jan 13. J Mol Model. 2006. PMID: 16411079

5

Supramolecular switches based on the guanine-cytosine (GC) Watson-Crick pair: effect of neutral and ionic substituents.

Fonseca Guerra C, van der Wijst T, Bickelhaupt FM. Fonseca Guerra C, et al. Chemistry. 2006 Apr 3;12(11):3032-42. doi: 10.1002/chem.200501301. Chemistry. 2006. PMID: 16453355

6

Adenine tautomers: relative stabilities, ionization energies, and mismatch with cytosine.

Fonseca Guerra C, Bickelhaupt FM, Saha S, Wang F. Fonseca Guerra C, et al. J Phys Chem A. 2006 Mar 23;110(11):4012-20. doi: 10.1021/jp057275r. J Phys Chem A. 2006. PMID: 16539424

7

Nanoswitches based on DNA base pairs: why adenine-thymine is less suitable than guanine-cytosine.

Fonseca Guerra C, van der Wijst T, Bickelhaupt FM. Fonseca Guerra C, et al. Chemphyschem. 2006 Sep 11;7(9):1971-9. doi: 10.1002/cphc.200600216. Chemphyschem. 2006. PMID: 16888742

8

Pi-pi stacking tackled with density functional theory.

Swart M, van der Wijst T, Fonseca Guerra C, Bickelhaupt FM. Swart M, et al. Among authors: fonseca guerra c. 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.

9

Hypervalent silicon versus carbon: ball-in-a-box model.

Pierrefixe SC, Fonseca Guerra C, Bickelhaupt FM. Pierrefixe SC, et al. Among authors: fonseca guerra c. Chemistry. 2008;14(3):819-28. doi: 10.1002/chem.200701252. Chemistry. 2008. PMID: 18058957

10

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: fonseca guerra c. Chemistry. 2009;15(1):209-18. doi: 10.1002/chem.200801476. Chemistry. 2009. PMID: 19058265

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