Fonseca Guerra C - Search Results

1

Tuning the Binding Strength of Even and Uneven Hydrogen-Bonded Arrays with Remote Substituents.

van der Lubbe SCC, Haim A, van Heesch T, Fonseca Guerra C. van der Lubbe SCC, et al. Among authors: fonseca guerra c. J Phys Chem A. 2020 Nov 12;124(45):9451-9463. doi: 10.1021/acs.jpca.0c07815. Epub 2020 Oct 15. J Phys Chem A. 2020. PMID: 33054218 Free PMC article.

2

How amino and nitro substituents direct electrophilic aromatic substitution in benzene: an explanation with Kohn-Sham molecular orbital theory and Voronoi deformation density analysis.

Stasyuk OA, Szatylowicz H, Krygowski TM, Fonseca Guerra C. Stasyuk OA, et al. Among authors: fonseca guerra c. Phys Chem Chem Phys. 2016 Apr 28;18(17):11624-33. doi: 10.1039/c5cp07483e. Phys Chem Chem Phys. 2016. PMID: 26800159

3

Hydrogen-Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled.

van der Lubbe SCC, Fonseca Guerra C. van der Lubbe SCC, et al. Among authors: fonseca guerra c. Chemistry. 2017 Aug 1;23(43):10249-10253. doi: 10.1002/chem.201701821. Epub 2017 Jun 1. Chemistry. 2017. PMID: 28485530 Free PMC article.

4

Nature of Intramolecular Resonance Assisted Hydrogen Bonding in Malonaldehyde and Its Saturated Analogue.

Grosch AA, van der Lubbe SCC, Fonseca Guerra C. Grosch AA, et al. Among authors: fonseca guerra c. J Phys Chem A. 2018 Feb 15;122(6):1813-1820. doi: 10.1021/acs.jpca.7b12635. Epub 2018 Feb 2. J Phys Chem A. 2018. PMID: 29357252 Free PMC article.

5

NMR ¹H-Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle.

Zarycz MNC, Fonseca Guerra C. Zarycz MNC, et al. Among authors: fonseca guerra c. J Phys Chem Lett. 2018 Jul 5;9(13):3720-3724. doi: 10.1021/acs.jpclett.8b01502. Epub 2018 Jun 25. J Phys Chem Lett. 2018. PMID: 29927254 Free PMC article.

6

Supramolecular Self-Sorting Networks using Hydrogen-Bonding Motifs.

Coubrough HM, van der Lubbe SCC, Hetherington K, Minard A, Pask C, Howard MJ, Fonseca Guerra C, Wilson AJ. Coubrough HM, et al. Among authors: fonseca guerra c. Chemistry. 2019 Jan 14;25(3):785-795. doi: 10.1002/chem.201804791. Epub 2018 Dec 13. Chemistry. 2019. PMID: 30379364 Free PMC article.

7

The Nature of Hydrogen Bonds: A Delineation of the Role of Different Energy Components on Hydrogen Bond Strengths and Lengths.

van der Lubbe SCC, Fonseca Guerra C. van der Lubbe SCC, et al. Among authors: fonseca guerra c. Chem Asian J. 2019 Aug 16;14(16):2760-2769. doi: 10.1002/asia.201900717. Epub 2019 Jul 19. Chem Asian J. 2019. PMID: 31241855 Free PMC article. Review.

8

Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table.

Boughlala Z, Fonseca Guerra C, Bickelhaupt FM. Boughlala Z, et al. Among authors: fonseca guerra c. J Phys Chem A. 2019 Oct 24;123(42):9137-9148. doi: 10.1021/acs.jpca.9b03814. Epub 2019 Jul 24. J Phys Chem A. 2019. PMID: 31294982 Free PMC article.

9

Understanding chemical reactivity using the activation strain model.

Vermeeren P, van der Lubbe SCC, Fonseca Guerra C, Bickelhaupt FM, Hamlin TA. Vermeeren P, et al. Among authors: fonseca guerra c. Nat Protoc. 2020 Feb;15(2):649-667. doi: 10.1038/s41596-019-0265-0. Epub 2020 Jan 10. Nat Protoc. 2020. PMID: 31925400

10

Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design.

Margiotta E, van der Lubbe SCC, de Azevedo Santos L, Paragi G, Moro S, Bickelhaupt FM, Fonseca Guerra C. Margiotta E, et al. Among authors: fonseca guerra c. J Chem Inf Model. 2020 Mar 23;60(3):1317-1328. doi: 10.1021/acs.jcim.9b00946. Epub 2020 Feb 13. J Chem Inf Model. 2020. PMID: 32003997 Free PMC article.

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