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1 Ergebnisse
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Frozen-Density Embedding for Including Environmental Effect..:
De Santis, Matteo
;
Sorbelli, Diego
;
Vallet, Valérie
...
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 5992-6009 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00499
RT Journal T1 <Title>Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00499&Exemplar=1&LAN=DE A1 De Santis, Matteo A1 Sorbelli, Diego A1 Vallet, Valérie A1 Gomes, André Severo Pereira A1 Storchi, Loriano A1 Belpassi, Leonardo PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 10 SP 5992 OP 6009 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00499 DO https://doi.org/10.1021/acs.jctc.2c00499 SF ELIB - SuUB Bremen
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