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Validation of microscopic magnetochiral dichroism theory.
Sci Adv. 2021 Apr 21;7(17):eabg2859. doi: 10.1126/sciadv.abg2859. Print 2021 Apr.
Sci Adv. 2021.
PMID: 33883144
Free PMC article.
Theoretical study of the Raman optical activity spectra of with M = Co, Rh.
Abella L, Ludowieg HD, Autschbach J.
Abella L, et al. Among authors: ludowieg hd.
Chirality. 2020 Jun;32(6):741-752. doi: 10.1002/chir.23194. Epub 2020 Mar 12.
Chirality. 2020.
PMID: 32166815
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Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX6]n- (X = Cl, Br; n = 1, 2).
Ganguly G, Ludowieg HD, Autschbach J.
Ganguly G, et al. Among authors: ludowieg hd.
J Chem Theory Comput. 2020 Aug 11;16(8):5189-5202. doi: 10.1021/acs.jctc.0c00386. Epub 2020 Jul 13.
J Chem Theory Comput. 2020.
PMID: 32568538
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Comparative Study of Vibrational Raman Optical Activity with Different Time-Dependent Density Functional Approximations: The VROA36 Database.
Morgante P, Ludowieg HD, Autschbach J.
Morgante P, et al. Among authors: ludowieg hd.
J Phys Chem A. 2022 May 19;126(19):2909-2927. doi: 10.1021/acs.jpca.2c00951. Epub 2022 May 5.
J Phys Chem A. 2022.
PMID: 35512708
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Optical Activity of Spin-Forbidden Electronic Transitions in Metal Complexes from Time-Dependent Density Functional Theory with Spin-Orbit Coupling.
Ludowieg HD, Srebro-Hooper M, Crassous J, Autschbach J.
Ludowieg HD, et al.
ChemistryOpen. 2022 May;11(5):e202200020. doi: 10.1002/open.202200020.
ChemistryOpen. 2022.
PMID: 35585034
Free PMC article.
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