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Entropy deepens loading chemical potentials of small alcohols by narrow carbon nanotubes.
Phys Chem Chem Phys. 2020 Oct 15;22(39):22369-22379. doi: 10.1039/d0cp03426f.
Phys Chem Chem Phys. 2020.
PMID: 32996515
On the effects of induced polarizability at the water-graphene interface via classical charge-on-spring models.
Escalona Y, Espinoza N, Barria-Urenda M, Oostenbrink C, Garate JA.
Escalona Y, et al. Among authors: barria urenda m.
Phys Chem Chem Phys. 2022 Mar 30;24(13):7748-7758. doi: 10.1039/d1cp05573a.
Phys Chem Chem Phys. 2022.
PMID: 35294507
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Size Matters: Free-Energy Calculations of Amino Acid Adsorption over Pristine Graphene.
Barria-Urenda M, Ruiz-Fernandez A, Gonzalez C, Oostenbrink C, Garate JA.
Barria-Urenda M, et al.
J Chem Inf Model. 2023 Nov 13;63(21):6642-6654. doi: 10.1021/acs.jcim.3c00418. Epub 2023 Nov 1.
J Chem Inf Model. 2023.
PMID: 37909535
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