Fonseca Guerra C - Search Results

1

Understanding chemistry with the symmetry-decomposed Voronoi deformation density charge analysis.

Nieuwland C, Vermeeren P, Bickelhaupt FM, Fonseca Guerra C. Nieuwland C, et al. Among authors: fonseca guerra c. J Comput Chem. 2023 Oct 15;44(27):2108-2119. doi: 10.1002/jcc.27184. Epub 2023 Jul 5. J Comput Chem. 2023. PMID: 37403918

2

Protonation of a biologically relevant Cu(II) μ-thiolate complex: ligand dissociation or formation of a protonated Cu(I) disulfide species?

Ording-Wenker EC, van der Plas M, Siegler MA, Fonseca Guerra C, Bouwman E. Ording-Wenker EC, et al. Among authors: fonseca guerra c. Chemistry. 2014 Dec 15;20(51):16913-21. doi: 10.1002/chem.201403918. Epub 2014 Oct 22. Chemistry. 2014. PMID: 25339345

3

A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases.

Jash B, Scharf P, Sandmann N, Fonseca Guerra C, Megger DA, Müller J. Jash B, et al. Among authors: fonseca guerra c. Chem Sci. 2017 Feb 1;8(2):1337-1343. doi: 10.1039/c6sc03482a. Epub 2016 Oct 12. Chem Sci. 2017. PMID: 28451274 Free PMC article.

4

Mixed guanine, adenine base quartets: possible roles of protons and metal ions in their stabilization.

Megger DA, Lax PM, Paauwe J, Fonseca Guerra C, Lippert B. Megger DA, et al. Among authors: fonseca guerra c. J Biol Inorg Chem. 2018 Jan;23(1):41-49. doi: 10.1007/s00775-017-1507-7. Epub 2017 Dec 7. J Biol Inorg Chem. 2018. PMID: 29218641 Free PMC article.

5

Aggregation induced emission of a new naphthyridine-ethynyl-gold(i) complex as a potential tool for sensing guanosine nucleotides in aqueous media.

Moro AJ , Avó J , Malfois M , Zaccaria F , Fonseca Guerra C , Caparrós FJ , Rodríguez L , Lima JC . Moro AJ , et al. Among authors: fonseca guerra c. Dalton Trans. 2020 Jan 7;49(1):171-178. doi: 10.1039/c9dt04162a. Epub 2019 Dec 3. Dalton Trans. 2020. PMID: 31793589

6

Direct detection of the mercury-nitrogen bond in the thymine-Hg(II)-thymine base-pair with (199)Hg NMR spectroscopy.

Dairaku T, Furuita K, Sato H, Šebera J, Yamanaka D, Otaki H, Kikkawa S, Kondo Y, Katahira R, Matthias Bickelhaupt F, Fonseca Guerra C, Ono A, Sychrovský V, Kojima C, Tanaka Y. Dairaku T, et al. Among authors: fonseca guerra c. Chem Commun (Camb). 2015 May 18;51(40):8488-91. doi: 10.1039/c5cc02423d. Chem Commun (Camb). 2015. PMID: 25891069

7

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

8

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

9

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

10

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

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