Browsing by Author Santos, Lucas de Azevedo

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Showing results 1 to 13 of 13
Issue DateTitleAuthor(s)
15-Apr-2021Chalcogen bonds: hierarchical benchmark and density functional theory performance studySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, Matthias
Dec-2019Could quantum mechanical properties be reflected on classical molecular dynamics? The case of halogenated organic compounds of biological interestSantos, Lucas de Azevedo; Prandi, Ingrid G.; Ramalho, Teodorico C.
10-May-2017Descrição eletrônica das ligações de halogênio: uma jornada em busca de novos potenciais empíricosSantos, Lucas de Azevedo
1-Sep-2021Dipolar repulsion in α-halocarbonyl compounds revisitedSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Freitas, Matheus P.; Guerra, Célia Fonseca
2019Experimental and theoretical studies of solvent polarity influence on the preparation of molecularly imprinted polymers for the removal of estradiol from waterXavier, Leandro Pablo dos Santos; Dias, Ana Carolina; Baeta, Bruno Eduardo Lobo; Santos, Lucas de Azevedo; Ramalho, Teodorico Castro; Aquino, Sérgio Francisco de; Silva, Adilson Candido da
15-Dec-2021Intermolecular covalent interactions: a quantitative molecular orbital perspectiveSantos, Lucas de Azevedo
2018Molecularly imprinted polymers for selective adsorption of quinoline: theoretical and experimental studiesSaavedra, Liz Nayibe Martínez; Penido, Ricardo Gonçalves; Santos, Lucas de Azevedo; Ramalho, Teodorico C.; Baeta, Bruno E. Lobo; Pereira, Márcio C.; Silva, Adilson Candido da
Oct-2020Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen TrihalidesSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Freitas, Matheus P.; Guerra, Célia Fonseca; Hamlin, Trevor A.
17-Feb-2021A quantitative MO perspective of the chalcogen bondSantos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, Matthias
17-Feb-2021A quantitative molecular orbital perspective of the chalcogen bondSantos, Lucas de Azevedo; Van der Lubbe, Stephanie C. C.; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
15-Mar-2018Structural analysis of two tetraketones and theoretical investigation of the reactions involved in their preparationSilva, Milene Lopes da; Teixeira, Róbson Ricardo; Santos, Lucas de Azevedo; Martins, Felipe Terra; Ramalho, Teodorico Castro
8-Feb-2021The gauche effect in XCH2CH2X revisitedSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Hamlin, Trevor A.; Guerra, Célia Fonseca; Freitas, Matheus P.; Bickelhaupt, Matthias
4-Jun-2021The pnictogen bond: a quantitative molecular orbital pictureSantos, Lucas de Azevedo; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias