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Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory.
J Phys Chem A. 2020 Feb 20;124(7):1321-1333. doi: 10.1021/acs.jpca.9b10833. Epub 2020 Feb 10.
J Phys Chem A. 2020.
PMID: 31986039
An Embedded Fragment Method for Molecules in Strong Magnetic Fields.
Speake BT, Irons TJP, Wibowo M, Johnson AG, David G, Teale AM.
Speake BT, et al.
J Chem Theory Comput. 2022 Dec 13;18(12):7412-7427. doi: 10.1021/acs.jctc.2c00865. Epub 2022 Nov 22.
J Chem Theory Comput. 2022.
PMID: 36414537
Free PMC article.
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Vibrations of the p-chlorofluorobenzene cation.
Kemp DJ , Whalley LE , Tuttle WD , Gardner AM , Speake BT , Wright TG .
Kemp DJ , et al. Among authors: speake bt.
Phys Chem Chem Phys. 2018 May 9;20(18):12503-12516. doi: 10.1039/c8cp01274a.
Phys Chem Chem Phys. 2018.
PMID: 29707717
Free article.
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