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1 Ergebnisse
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Efficient Calculation of Magnetic Circular Dichroism Spectr..:
Pausch, Ansgar
;
Holzer, Christof
;
Klopper, Wim
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3747-3758 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00232
RT Journal T1 <Title>Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00232&Exemplar=1&LAN=DE A1 Pausch, Ansgar A1 Holzer, Christof A1 Klopper, Wim PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 6 SP 3747 OP 3758 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00232 DO https://doi.org/10.1021/acs.jctc.2c00232 SF ELIB - SuUB Bremen
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