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Year | Number of Results |
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2017 | 1 |
2018 | 1 |
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2023 | 1 |
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Page 1
Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?
Methods Mol Biol. 2020;2114:149-161. doi: 10.1007/978-1-0716-0282-9_10.
Methods Mol Biol. 2020.
PMID: 32016892
Review.
Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters.
Vuong VQ, Madridejos JML, Aradi B, Sumpter BG, Metha GF, Irle S.
Vuong VQ, et al.
Chem Sci. 2020 Nov 2;11(48):13113-13128. doi: 10.1039/d0sc04514d.
Chem Sci. 2020.
PMID: 34094493
Free PMC article.
Item in Clipboard
Efficacy of Lemon Myrtle Essential Oil as a Bio-Fungicide in Inhibiting Citrus Green Mould.
Rahman MM, Wills RBH, Bowyer MC, Vuong VQ, Golding JB, Kirkman T, Pristijono P.
Rahman MM, et al. Among authors: vuong vq.
Plants (Basel). 2023 Oct 31;12(21):3742. doi: 10.3390/plants12213742.
Plants (Basel). 2023.
PMID: 37960098
Free PMC article.
Item in Clipboard
Investigating the Accuracy of Water Models through the Van Hove Correlation Function.
Matsumoto RA, Thompson MW, Vuong VQ, Zhang W, Shinohara Y, van Duin ACT, Kent PRC, Irle S, Egami T, Cummings PT.
Matsumoto RA, et al.
J Chem Theory Comput. 2021 Oct 12;17(10):5992-6005. doi: 10.1021/acs.jctc.1c00637. Epub 2021 Sep 13.
J Chem Theory Comput. 2021.
PMID: 34516134
Item in Clipboard
Pre-Sodiated Ti3C2Tx MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors.
Brady A, Liang K, Vuong VQ, Sacci R, Prenger K, Thompson M, Matsumoto R, Cummings P, Irle S, Wang HW, Naguib M.
Brady A, et al.
ACS Nano. 2021 Feb 23;15(2):2994-3003. doi: 10.1021/acsnano.0c09301. Epub 2021 Jan 29.
ACS Nano. 2021.
PMID: 33513013
Item in Clipboard
Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules.
Vuong VQ, Akkarapattiakal Kuriappan J, Kubillus M, Kranz JJ, Mast T, Niehaus TA, Irle S, Elstner M.
Vuong VQ, et al.
J Chem Theory Comput. 2018 Jan 9;14(1):115-125. doi: 10.1021/acs.jctc.7b00947. Epub 2017 Dec 27.
J Chem Theory Comput. 2018.
PMID: 29232515
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The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding.
Vuong VQ, Nishimoto Y, Fedorov DG, Sumpter BG, Niehaus TA, Irle S.
Vuong VQ, et al.
J Chem Theory Comput. 2019 May 14;15(5):3008-3020. doi: 10.1021/acs.jctc.9b00108. Epub 2019 Apr 30.
J Chem Theory Comput. 2019.
PMID: 30998360
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