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Page 1
Magnetic and Electronic Properties of Sr Doped Infinite-Layer NdNiO2 Supercell: A Screened Hybrid Density Functional Study.
Molecules. 2023 May 10;28(10):3999. doi: 10.3390/molecules28103999.
Molecules. 2023.
PMID: 37241740
Free PMC article.
Adsorption and dissociation of gas-phase HCl molecules on Al17q (q = -2 - +3) ions.
Liu Y, Hua Y, Yan A, Wu S, Chen J.
Liu Y, et al. Among authors: hua y.
J Mol Model. 2019 Jul 9;25(8):214. doi: 10.1007/s00894-019-4099-z.
J Mol Model. 2019.
PMID: 31289945
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Geometric transition and electronic properties of titanium-doped aluminum clusters: Al(n)Ti (n = 2-24).
Hua Y, Liu Y, Jiang G, Du J, Chen J.
Hua Y, et al.
J Phys Chem A. 2013 Mar 28;117(12):2590-7. doi: 10.1021/jp309629y. Epub 2013 Mar 18.
J Phys Chem A. 2013.
PMID: 23451711
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Theoretical study of the geometries and dissociation energies of molecular water on neutral aluminum clusters Al(n) (n = 2-25).
Liu Y, Hua Y, Jiang M, Jiang G, Chen J.
Liu Y, et al. Among authors: hua y.
J Chem Phys. 2012 Feb 28;136(8):084703. doi: 10.1063/1.3685603.
J Chem Phys. 2012.
PMID: 22380055
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Well-defined linear Au n (n = 2-4) chains encapsulated in SWCNTs: a DFT study.
Liu Y, Hua Y, Yan A, Wu S, Kong F.
Liu Y, et al. Among authors: hua y.
J Mol Model. 2017 Jan;23(1):19. doi: 10.1007/s00894-016-3200-0. Epub 2017 Jan 3.
J Mol Model. 2017.
PMID: 28050722
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Correction to: Adsorption and dissociation of gas-phase HCl molecules on Al17q(q = -2 - +3) ions.
Liu Y, Hua Y, Yan A, Wu S, Chen J.
Liu Y, et al. Among authors: hua y.
J Mol Model. 2019 Dec 3;25(12):374. doi: 10.1007/s00894-019-4262-6.
J Mol Model. 2019.
PMID: 31792612
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