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Page 1
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: de azevedo santos l. 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.
The Gauche Effect in XCH2 CH2 X Revisited.
Rodrigues Silva D, de Azevedo Santos L, Hamlin TA, Fonseca Guerra C, Freitas MP, Bickelhaupt FM. Rodrigues Silva D, et al. Among authors: de azevedo santos l. Chemphyschem. 2021 Apr 7;22(7):641-648. doi: 10.1002/cphc.202100090. Epub 2021 Feb 25. Chemphyschem. 2021. PMID: 33555663 Free PMC article.
A Quantitative Molecular Orbital Perspective of the Chalcogen Bond.
de Azevedo Santos L, van der Lubbe SCC, Hamlin TA, Ramalho TC, Matthias Bickelhaupt F. de Azevedo Santos L, et al. ChemistryOpen. 2021 Apr;10(4):391-401. doi: 10.1002/open.202000323. Epub 2021 Feb 17. ChemistryOpen. 2021. PMID: 33594829 Free PMC article.
The pnictogen bond: a quantitative molecular orbital picture.
de Azevedo Santos L, Hamlin TA, Ramalho TC, Bickelhaupt FM. de Azevedo Santos L, et al. Phys Chem Chem Phys. 2021 Jun 30;23(25):13842-13852. doi: 10.1039/d1cp01571k. Phys Chem Chem Phys. 2021. PMID: 34155488 Free PMC article.
Dipolar repulsion in α-halocarbonyl compounds revisited.
Rodrigues Silva D, de Azevedo Santos L, Hamlin TA, Bickelhaupt FM, P Freitas M, Fonseca Guerra C. Rodrigues Silva D, et al. Among authors: de azevedo santos l. Phys Chem Chem Phys. 2021 Sep 29;23(37):20883-20891. doi: 10.1039/d1cp02502c. Phys Chem Chem Phys. 2021. PMID: 34528039 Free PMC article.
21 results