Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory.
about
Copper-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.Record Broken: A Copper Peroxide Complex with Enhanced Stability and Faster Hydroxylation Catalysis.Density functional theory of the CuA -like Cu2 S2 diamond core in Cu 2II(NGuaS)2 Cl2.The Cu2O2 torture track for a real-life system: [Cu2(btmgp)2O2](2+) oxo and peroxo species in density functional calculations.The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: insights from TD-DFT and many-body perturbation theory (part II).Symmetry breaking and excitonic effects on optical properties of defective nanographenes.
P2860
Q39177186-6CBA4B81-92B4-4ACF-A871-3E9C409425C0Q40187870-D7C4EF81-B43E-4E5E-A5AF-5BAE3C86C17FQ46380442-7B16D249-FBB4-43CB-9E52-410C27DE4EBAQ46605880-CF89E691-1EEF-4DA5-8EFB-DCB092DC40C6Q46703818-5CC0A97B-ACA5-4236-9A6F-76527F7C6BCAQ47574463-CF1CF414-DD40-4ECE-82AD-A31AC3B60EB2Q48825935-641AB4EA-EF1B-4EE8-9F68-E6A659923D03Q50958985-FD95191A-1AF4-4B17-86D1-FECB2F1467A7
P2860
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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name
Bis-μ-oxo and μ-η2:η2-peroxo d ...... many-body perturbation theory.
@en
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within
@nl
type
label
Bis-μ-oxo and μ-η2:η2-peroxo d ...... many-body perturbation theory.
@en
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within
@nl
prefLabel
Bis-μ-oxo and μ-η2:η2-peroxo d ...... many-body perturbation theory.
@en
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within
@nl
P2860
P356
P1476
Bis-μ-oxo and μ-η2:η2-peroxo d ...... many-body perturbation theory.
@en
P2093
P2860
P304
P356
10.1002/JCC.23230
P577
2013-01-08T00:00:00Z