Computation of hyperfine tensors for dinuclear Mn(III) Mn(IV) complexes by broken-symmetry approaches: anisotropy transfer induced by local zero-field splitting.
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Hyperfine coupling constants on inner-sphere water molecules of Gd(III)-based MRI contrast agents.Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3 Cr Single-Molecule Magnet.Broken symmetry approach to density functional calculation of zero field splittings including anisotropic exchange interactions.Metal oxidation states in biological water splitting† †Electronic supplementary information (ESI) available: Additional methodological details and discussion, Tables S1–S10, Fig. S1–S16, spin populations, parameters of optimized structures, experimeMetal oxidation states in biological water splitting.On ammonia binding to the oxygen-evolving complex of photosystem II: a quantum chemical study.
P2860
Computation of hyperfine tensors for dinuclear Mn(III) Mn(IV) complexes by broken-symmetry approaches: anisotropy transfer induced by local zero-field splitting.
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Computation of hyperfine tensors for dinuclear Mn
@nl
Computation of hyperfine tenso ...... by local zero-field splitting.
@en
type
label
Computation of hyperfine tensors for dinuclear Mn
@nl
Computation of hyperfine tenso ...... by local zero-field splitting.
@en
prefLabel
Computation of hyperfine tensors for dinuclear Mn
@nl
Computation of hyperfine tenso ...... by local zero-field splitting.
@en
P2093
P2860
P356
P1433
P1476
Computation of hyperfine tenso ...... by local zero-field splitting.
@en
P2093
Alexei V Arbuznikov
Johannes Schraut
Martin Kaupp
Sandra Schinzel
P2860
P304
P356
10.1002/CPHC.201100443
P577
2011-11-23T00:00:00Z