by Alizadeh, Vahideh, Malberg, Friedrich, Pádua, Agílio A. H, Kirchner, Barbara
Published in The journal of physical chemistry. B (27.08.2020)

by Sresht, Vishnu, Pádua, Agílio A. H, Blankschtein, Daniel
Published in ACS nano (25.08.2015)

by Goloviznina, Kateryna, Canongia Lopes, José N, Costa Gomes, Margarida, Pádua, Agílio A. H
Published in Journal of chemical theory and computation (12.11.2019)

by Sun, Zhenyu, Zhang, Yuqin, Yu, Hao, Yan, Chao, Liu, Yongchao, Hong, Song, Tao, Hengcong, Robertson, Alex W, Wang, Zhuo, Pádua, Agílio A H
Published in Nanoscale (01.01.2018)

by Gong, Zheng, Padua, Agilio A H
Published in The Journal of chemical physics (28.02.2021)

by Goloviznina, Kateryna, Gong, Zheng, Costa Gomes, Margarida F, Pádua, Agílio A. H
Published in Journal of chemical theory and computation (09.03.2021)

by Andanson, Jean-Michel, Bordes, Emilie, Devemy, Julien, Leroux, Fabrice, Padua, Agilio AH, Gomes, Margarida FCosta
Published in Green chemistry : an international journal and green chemistry resource : GC (01.01.2014)

by Pensado, Alfonso S., Pádua, Agílio A. H.
Published in Angewandte Chemie International Edition (05.09.2011)

by Mao, Xianwen, Brown, Paul, Červinka, Ctirad, Hazell, Gavin, Li, Hua, Ren, Yinying, Chen, Di, Atkin, Rob, Eastoe, Julian, Grillo, Isabelle, Padua, Agilio. A. H., Costa Gomes, Margarida. F., Hatton, T. Alan
Published in Nature materials (01.12.2019)

by Dequidt, Alain, Devémy, Julien, Pádua, Agílio A. H
Published in Journal of chemical information and modeling (25.01.2016)

by Avila, Jocasta, Lepre, L. Fernando, Santini, Catherine C., Tiano, Martin, Denis‐Quanquin, Sandrine, Chung Szeto, Kai, Padua, Agilio A. H., Costa Gomes, Margarida
Published in Angewandte Chemie International Edition (01.06.2021)

by Bordes, Emilie, Douce, Laurent, Quitevis, Edward L, Pádua, Agílio A H, Costa Gomes, Margarida
Published in The Journal of chemical physics (21.05.2018)

by Lepre, Luiz F, Costa Gomes, Margarida, Pádua, Agílio A. H, Ando, Rômulo A, Ribeiro, Mauro C. C
Published in The journal of physical chemistry. B (01.08.2019)

by Massaro, Arianna, Avila, Jocasta, Goloviznina, Kateryna, Rivalta, Ivan, Gerbaldi, Claudio, Pavone, Michele, Costa Gomes, Margarida F, Padua, Agilio A. H
Published in Physical chemistry chemical physics : PCCP (21.09.2020)

by Canongia Lopes, José N, Pádua, Agílio A. H
Published in The journal of physical chemistry. B (05.10.2006)

by Lepre, Luiz Fernando, Andre, Dune, Denis-Quanquin, Sandrine, Gautier, Arnaud, Pádua, Agílio A. H, Costa Gomes, Margarida
Published in ACS sustainable chemistry & engineering (07.10.2019)

by Canongia Lopes, José N., Pádua, Agílio A. H.
Published in Theoretical chemistry accounts (2012)

by Canongia Lopes, José N, Costa Gomes, Margarida F, Pádua, Agílio A. H
Published in The journal of physical chemistry. B (31.08.2006)

by Pádua, Agílio A. H, Costa Gomes, Margarida F, Canongia Lopes, José N. A
Published in Accounts of chemical research (01.11.2007)

by Bolimowska, Ewelina, Castiglione, Franca, Devemy, Julien, Rouault, Helene, Mele, Andrea, Pádua, Agílio A. H, Santini, Catherine C
Published in The journal of physical chemistry. B (13.09.2018)