The Cu2O2 torture track for a real-life system: [Cu2(btmgp)2O2](2+) oxo and peroxo species in density functional calculations.
about
Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistryCopper-Mediated Selective Hydroxylation of a Non-activated C-H Bond in Steroids: A DFT Study of Schönecker's Reaction.Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complex.Formation of hybrid guanidine-stabilized bis(μ-oxo)dicopper cores in solution: Electronic and steric perturbations.Record Broken: A Copper Peroxide Complex with Enhanced Stability and Faster Hydroxylation Catalysis.On the Way to a Trisanionic {Cu3 O2 } Core for Oxidase Catalysis: Evidence of an Asymmetric Trinuclear Precursor Stabilized by Perfluoropinacolate Ligands.Rhodium Complexes Promoting C-O Bond Formation in Reactions with Oxygen: The Role of Superoxo Species.Relativistic effects at the Cu2O2 core - a density functional theory study.
P2860
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P2860
The Cu2O2 torture track for a real-life system: [Cu2(btmgp)2O2](2+) oxo and peroxo species in density functional calculations.
description
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name
The Cu2O2 torture track for a real-life system: [Cu2
@nl
The Cu2O2 torture track for a ...... nsity functional calculations.
@en
type
label
The Cu2O2 torture track for a real-life system: [Cu2
@nl
The Cu2O2 torture track for a ...... nsity functional calculations.
@en
prefLabel
The Cu2O2 torture track for a real-life system: [Cu2
@nl
The Cu2O2 torture track for a ...... nsity functional calculations.
@en
P2093
P2860
P356
P1476
The Cu2O2 torture track for a ...... nsity functional calculations.
@en
P2093
Alexander Hoffmann
Christian Thierfelder
Martin Rohrmüller
P2860
P304
P356
10.1002/JCC.23983
P577
2015-07-07T00:00:00Z