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1 Ergebnisse
1
Mean Value Ensemble Hubbard‑ U Correction for Spin-Crossove..:
Angel Albavera-Mata (14289786)
;
S. B. Trickey (6083618)
;
Richard G. Hennig (1330377)
https://figshare.com/articles/journal_contribution/Mean_Value_Ensemble_Hubbard_i_U_i_Correction_for_Spin-Crossover_Molecules/21764100. , 2022
Link:
https://doi.org/10.1021/acs.jpclett.2c03388.s002
RT Journal T1
Mean Value Ensemble Hubbard‑ U Correction for Spin-Crossover Molecules
UL https://suche.suub.uni-bremen.de/peid=base-ftunivfreestate:oai:figshare.com:article_21764100&Exemplar=1&LAN=DE A1 Angel Albavera-Mata (14289786) A1 S. B. Trickey (6083618) A1 Richard G. Hennig (1330377) YR 2022 K1 Biophysics K1 Biochemistry K1 Molecular Biology K1 Biotechnology K1 Cancer K1 Inorganic Chemistry K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 share transition metals K1 previous studies overcorrect K1 >< K1 crossover complexes shows K1 linear response calculation K1 commonly used set K1 crossover molecules high K1 pure spin state K1 linear response K1 crossover energies K1 oxidation state K1 different complexes K1 ></ sub K1 u </ K1 throughput searches K1 throughput calculations K1 reference configuration K1 recommended averaged K1 eff </ K1 calculated directly JF https://figshare.com/articles/journal_contribution/Mean_Value_Ensemble_Hubbard_i_U_i_Correction_for_Spin-Crossover_Molecules/21764100 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpclett.2c03388.s002 DO https://doi.org/10.1021/acs.jpclett.2c03388.s002 SF ELIB - SuUB Bremen
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