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The nature of metallophilic interactions in closed-shell d8-d8 metal complexes.
de Azevedo Santos L, Wagner T, Visscher K, Nitsch J, Bickelhaupt FM, Fonseca Guerra C. de Azevedo Santos L, et al. Among authors: fonseca guerra c. Phys Chem Chem Phys. 2024 Aug 7;26(31):20928-20936. doi: 10.1039/d4cp00250d. Phys Chem Chem Phys. 2024. PMID: 39046093 Free PMC article.
Multiple hydrogen-bonded dimers: are only the frontier atoms relevant?
Nieuwland C, Almacellas D, Veldhuizen MM, de Azevedo Santos L, Poater J, Fonseca Guerra C. Nieuwland C, et al. Among authors: fonseca guerra c. Phys Chem Chem Phys. 2024 Apr 17;26(15):11306-11310. doi: 10.1039/d3cp05244c. Phys Chem Chem Phys. 2024. PMID: 38054332 Free PMC article.
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.
121 results