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First-Principles Study of a MoS2-PbS van der Waals Heterostructure Inspired by Naturally Occurring Merelaniite.
Materials (Basel). 2021 Mar 27;14(7):1649. doi: 10.3390/ma14071649.
Materials (Basel). 2021.
PMID: 33801695
Free PMC article.
Tailoring of the electronic property of Zn-BTC metal-organic framework via ligand functionalization: an ab initio investigation.
Degaga GD, Pandey R, Gupta C, Bharadwaj L.
Degaga GD, et al.
RSC Adv. 2019 May 7;9(25):14260-14267. doi: 10.1039/c9ra00687g. eCollection 2019 May 7.
RSC Adv. 2019.
PMID: 35519341
Free PMC article.
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Investigation of N2 adsorption on Fe3O4(001) using ambient pressure X-ray photoelectron spectroscopy and density functional theory.
Degaga GD, Trought M, Nemsak S, Crumlin EJ, Seel M, Pandey R, Perrine KA.
Degaga GD, et al.
J Chem Phys. 2020 Feb 7;152(5):054717. doi: 10.1063/1.5138941.
J Chem Phys. 2020.
PMID: 32035447
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Generative β-hairpin design using a residue-based physicochemical property landscape.
Satalkar V, Degaga GD, Li W, Pang YT, McShan AC, Gumbart JC, Mitchell JC, Torres MP.
Satalkar V, et al. Among authors: degaga gd.
Biophys J. 2024 Feb 1:S0006-3495(24)00070-5. doi: 10.1016/j.bpj.2024.01.029. Online ahead of print.
Biophys J. 2024.
PMID: 38297834
Free article.
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