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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 <Title>Mean Value Ensemble Hubbard‑ U Correction for Spin-Crossover Molecules</Title>

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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