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A {Cu2S}2+ Mixed‐Valent Core Featuring a CuCu Bond ⬇️

artículo científico publicado el 25 de octubre de 2010

C-N Bond Formation from a Masked High-Valent Copper Complex Stabilized by Redox Non-Innocent Ligands.

artículo científico publicado en 2016

Circumventing Intrinsic Metal Reactivity: Radical Generation with Redox-Active Ligands.

artículo científico publicado en 2017

Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants

artículo científico publicado en 2020

Copper-Catalyzed Aziridination with Redox-Active Ligands: Molecular Spin Catalysis.

artículo científico publicado en 2018

Density functional theory

artículo científico publicado en 2009

EPR Spectroscopy of Cu(II) Complexes: Prediction of g-Tensors Using Double-Hybrid Density Functional Theory

artículo científico publicado en 2022

Hydrogen evolution reaction catalyzed by a bis(thiosemicarbazone) cobalt complex: An experimental and theoretical study

artículo científico publicado en 2018

Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex

artículo científico publicado en 2020

Indolino-Oxazolidine Acido- and Photochromic System Investigated by NMR and Density Functional Theory Calculations

artículo científico publicado en 2018

Influence of Copper Coordination Spheres on Nitrous Oxide Reductase (N2Or) Activity of a Mixed-Valent Copper Complex Containing a {Cu2S} Core

scientific article published on 22 August 2019

Ligand-based electronic effects on the electrocatalytic hydrogen production by thiosemicarbazone nickel complexes

artículo científico publicado en 2020

Molecular Electrocatalysts for the Hydrogen Evolution Reaction: Input from Quantum Chemistry

scientific article published on 29 October 2019

Superlattice Induced by Charge Order in the Organic Spin Chain (TMTTF)2X (X = SbF6, AsF6, and PF6) Revealed by High-Field Electron Paramagnetic Resonance

scientific article published on 12 September 2018

Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism

artículo científico publicado en 2010

Tuning Inner-Sphere Electron Transfer in a Series of Copper/Nitrosoarene Adducts

scientific article published on 19 February 2020

Water Molecules Gating a Photoinduced One-Electron Two-Protons Transfer in a Tyrosine/Histidine (Tyr/His) Model of Photosystem II

artículo científico publicado en 2018

When Light and Acid Play Tic-Tac-Toe with a Nine-State Molecular Switch

artículo científico publicado en 2019

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