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Thymine adsorption on two-dimensional boron nitride structures: first-principles studies.
J Mol Model. 2017 Apr;23(4):109. doi: 10.1007/s00894-017-3280-5. Epub 2017 Mar 11.
J Mol Model. 2017.
PMID: 28285442
Encapsulation of Pollutant Gaseous Molecules by Adsorption on Boron Nitride Nanotubes: A Quantum Chemistry Study.
García-Toral D, Báez RM, Sánchez S JI, Flores-Riveros A, Cocoletzi GH, Rivas-Silva JF.
García-Toral D, et al.
ACS Omega. 2021 Jun 3;6(23):14824-14837. doi: 10.1021/acsomega.1c00413. eCollection 2021 Jun 15.
ACS Omega. 2021.
PMID: 34151064
Free PMC article.
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Dopamine and Caffeine Encapsulation within Boron Nitride (14,0) Nanotubes: Classical Molecular Dynamics and First Principles Calculations.
García-Toral D, González-Melchor M, Rivas-Silva JF, Meneses-Juárez E, Cano-Ordaz J, H Cocoletzi G.
García-Toral D, et al.
J Phys Chem B. 2018 Jun 7;122(22):5885-5896. doi: 10.1021/acs.jpcb.8b00116. Epub 2018 May 24.
J Phys Chem B. 2018.
PMID: 29761705
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New Cap-Holed AlP, GaP, and InP Nanotubes.
Mendoza-Báez R, García-Toral D, Rivas-Silva JF, Camposeco ANS, Gómez SE, Cocoletzi GH, Flores-Riveros A.
Mendoza-Báez R, et al. Among authors: garcia toral d.
ACS Omega. 2024 Jan 2;9(2):2920-2930. doi: 10.1021/acsomega.3c08486. eCollection 2024 Jan 16.
ACS Omega. 2024.
PMID: 38250395
Free PMC article.
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