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Accuracy of TIP4P/2005 and SPC/Fw Water Models.
J Phys Chem B. 2024 Feb 1;128(4):1091-1097. doi: 10.1021/acs.jpcb.3c07044. Epub 2024 Jan 22.
J Phys Chem B. 2024.
PMID: 38253517
Flow through Deformed Carbon Nanotubes Predicted by Rigid and Flexible Water Models.
Mendonça BHS, de Moraes EE, Kirch A, Batista RJC, de Oliveira AB, Barbosa MC, Chacham H.
Mendonça BHS, et al. Among authors: de moraes ee.
J Phys Chem B. 2023 Oct 12;127(40):8634-8643. doi: 10.1021/acs.jpcb.3c02889. Epub 2023 Sep 27.
J Phys Chem B. 2023.
PMID: 37754781
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Density functional theory study of π-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface.
de Moraes EE, Tonel MZ, Fagan SB, Barbosa MC.
de Moraes EE, et al.
J Mol Model. 2019 Sep 5;25(10):302. doi: 10.1007/s00894-019-4185-2.
J Mol Model. 2019.
PMID: 31486895
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Modulation of spin and charge currents through functionalized 2D diamond devices.
Pinto AA, de Moraes EE, Chacham H, Batista RJC.
Pinto AA, et al. Among authors: de moraes ee.
Nanotechnology. 2023 Dec 8;35(7). doi: 10.1088/1361-6528/ad0246.
Nanotechnology. 2023.
PMID: 37820632
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