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List of works by Vera Krewald

A Valence-Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure

scientific article published on 17 November 2017

A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding.

scientific article published on 17 November 2015

Ca K-edge XAS as a probe of calcium centers in complex systems.

scientific article published on 10 December 2014

Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.

scientific article

Experimental and computational X-ray emission spectroscopy as a direct probe of protonation states in oxo-bridged Mn(IV) dimers relevant to redox-active metalloproteins

scientific article published on 25 October 2013

Frontispiece: A Valence-Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure

scholarly article by Vera Krewald & Leticia González published 6 April 2018 in Chemistry—A European Journal

How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.

scientific article published on 9 September 2015

Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem II

scientific article published on 01 August 2019

Light-controlled gene expression in yeast using photocaged Cu2.

scientific article published on 25 April 2017

Metal oxidation states in biological water splitting

scientific article published on 9 January 2015

Metal-Ligand Cooperative Synthesis of Benzonitrile by Electrochemical Reduction and Photolytic Splitting of Dinitrogen

scientific article published on 07 December 2018

Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh3)Br].

scientific article published on 15 December 2017

On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalysts.

scientific article published on 8 April 2013

Orbital Entanglement Analysis of Exchange-Coupled Systems

scientific article published on 18 October 2019

Principles of Natural Photosynthesis

scientific article published on 23 June 2015

Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues.

scientific article

Resolving the Manganese Oxidation States in the Oxygen-evolving Catalyst of Natural Photosynthesis

scholarly article by Vera Krewald et al published 25 September 2015 in Israel Journal of Chemistry

Spin State as a Marker for the Structural Evolution of Nature's Water-Splitting Catalyst

scientific article published on 23 December 2015

Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study

scientific article published in June 2014

The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge.

scientific article

The protonation states of oxo-bridged Mn(IV) dimers resolved by experimental and computational Mn K pre-edge X-ray absorption spectroscopy

scientific article published on 25 October 2013

Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions

scientific article published on 17 November 2011

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

scientific article

Understanding and tuning the properties of redox-accumulating manganese helicates

scientific article

Water dynamics in silica nanopores: The self-intermediate scattering functions

article

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