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Page 1
Use of FLOSIC for understanding anion-solvent interactions.
J Chem Phys. 2023 Oct 21;159(15):154112. doi: 10.1063/5.0172300.
J Chem Phys. 2023.
PMID: 37861122
Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules.
Pederson MR, Baruah T, Kao DY, Basurto L.
Pederson MR, et al. Among authors: kao dy.
J Chem Phys. 2016 Apr 28;144(16):164117. doi: 10.1063/1.4947042.
J Chem Phys. 2016.
PMID: 27131541
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Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr.
Kao DY, Withanage K, Hahn T, Batool J, Kortus J, Jackson K.
Kao DY, et al.
J Chem Phys. 2017 Oct 28;147(16):164107. doi: 10.1063/1.4996498.
J Chem Phys. 2017.
PMID: 29096512
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Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction.
Trepte K, Schwalbe S, Hahn T, Kortus J, Kao DY, Yamamoto Y, Baruah T, Zope RR, Withanage KPK, Peralta JE, Jackson KA.
Trepte K, et al. Among authors: kao dy.
J Comput Chem. 2019 Mar 5;40(6):820-825. doi: 10.1002/jcc.25767. Epub 2018 Dec 27.
J Comput Chem. 2019.
PMID: 30589095
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Adsorption of glucose oxidase onto single-walled carbon nanotubes and its application in layer-by-layer biosensors.
Tsai TW, Heckert G, Neves LF, Tan Y, Kao DY, Harrison RG, Resasco DE, Schmidtke DW.
Tsai TW, et al. Among authors: kao dy.
Anal Chem. 2009 Oct 1;81(19):7917-25. doi: 10.1021/ac900650r.
Anal Chem. 2009.
PMID: 19788314
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