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Data do documentoTítuloAutor(es)
4-Jun-2021The pnictogen bond: a quantitative molecular orbital pictureSantos, Lucas de Azevedo; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
15-Abr-2021Chalcogen bonds: hierarchical benchmark and density functional theory performance studySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, Matthias
2022Association phosphite x fungicide: protection against powdery mildew in soybean plants, translocation and computer simulationVilela, Ariana Elisei; Resende, Mário Lúcio Vilela de; Medeiros, Fernanda Carvalho Lopes de; Pereira, Matheus Henrique de Brito; Santiago, Wilder Douglas; Santos, Lucas de Azevedo; Botelho, Deila Magna dos Santos; Ramalho, Teodorico Castro
Dez-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.
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
17-Fev-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
8-Fev-2021The gauche effect in XCH2CH2X revisitedSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Hamlin, Trevor A.; Guerra, Célia Fonseca; Freitas, Matheus P.; Bickelhaupt, Matthias
17-Fev-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
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
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