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1.
Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations.
Phys Chem Chem Phys
; 26(8): 6667-6677, 2024 Feb 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-38088043
2.
Tuning the electrochemical behavior of graphene oxide and reduced graphene oxide via doping hexagonal BN for high capacity negative electrodes for Li and Na ion batteries.
Phys Chem Chem Phys
; 25(5): 4047-4061, 2023 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36651014
3.
Exploring the adsorption ability with sensitivity and reactivity of C12-B6N6, C12-Al6N6, and B6N6-Al6N6 heteronanocages towards the cisplatin drug: a DFT, AIM, and COSMO analysis.
RSC Adv
; 12(45): 29569-29584, 2022 Oct 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36320781
4.
Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches.
Comput Theor Chem
; 1217: 113902, 2022 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-36211195
5.
In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors.
RSC Adv
; 11(52): 32810-32823, 2021 Oct 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-35493562
6.
Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights.
RSC Adv
; 11(58): 36866-36883, 2021 Nov 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-35494400
7.
A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m = 6-8).
J Mol Model
; 26(6): 153, 2020 May 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-32451624
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