Calculation of exchange coupling constants of transition metal complexes with DFT.
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Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.Cyclic peptide marine metabolites and CuII.Computational modelling of oxygenation processes in enzymes and biomimetic model complexes.Magnetic exchange couplings evaluated with Rung 3.5 density functionals.Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties.Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes.Synthesis, Magnetic Properties, and Catalytic Properties of a Nickel(II)-Dependent Biomimetic of MetallohydrolasesA self-assembled Cu(ii)4[2 × 2] grid with organic radicals
P2860
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P2860
Calculation of exchange coupling constants of transition metal complexes with DFT.
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
@zh-cn
2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年學術文章
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name
Calculation of exchange coupling constants of transition metal complexes with DFT.
@en
Calculation of exchange coupling constants of transition metal complexes with DFT.
@nl
type
label
Calculation of exchange coupling constants of transition metal complexes with DFT.
@en
Calculation of exchange coupling constants of transition metal complexes with DFT.
@nl
prefLabel
Calculation of exchange coupling constants of transition metal complexes with DFT.
@en
Calculation of exchange coupling constants of transition metal complexes with DFT.
@nl
P2093
P356
P1476
Calculation of exchange coupling constants of transition metal complexes with DFT.
@en
P2093
Bodo Martin
Peter Comba
Sascha Hausberg
P304
P356
10.1021/JP900752P
P407
P577
2009-06-01T00:00:00Z