A new family of hybrid density functionals

A new family of hybrid density functionals

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http://www.wikidata.org/entity/Q56880580
Indirect evidence for a NiIII-oxyl oxidant in the reaction of a NiII complex with peracid.Exploring the potential energy surface of E₂P₄ clusters (E=Group 13 element): the quest for inverse carbon-free sandwiches.On the calculation of multiplet energies of three-open-shell 4f135fn6d1 electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds.Electronic Structures of Mono-Oxidized Copper and Nickel Phosphasalen Complexes.The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2.Comment on "Density functional theory is straying from the path toward the exact functional".Resolving the origin of the multimode Jahn-Teller effect in metallophthalocyanines.Unique mononuclear Mn(II) complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity.The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A–T and A–U base pairsApplication of Density Functional and Density Functional Based Ligand Field Theory to Spin StatesSummary and OutlookA density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metalsSynthesis, characterization, DFT calculations, and antimicrobial activity of Pd(II) and Co(III) complexes with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girard’s T reagentBenchmark Study on the Smallest Bimolecular Nucleophilic Substitution Reaction: H−+CH4 →CH4+H−
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A new family of hybrid density functionals

Item
http://www.wikidata.org/entity/Q56880580
description
im August 2013 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в серпні 2013
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name
A new family of hybrid density functionals
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A new family of hybrid density functionals
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type
label
A new family of hybrid density functionals
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A new family of hybrid density functionals
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prefLabel
A new family of hybrid density functionals
@en
A new family of hybrid density functionals
@nl
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P1476
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P31
P356
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P50
P577
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A new family of hybrid density functionals
@en
P304
P31
P356
10.1016/J.CPLETT.2013.06.045
P478
P50
P577