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Krewald

Showing results (21-30 of 78) with videos related to

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Angewandte Chemie (International Ed. in English)|July 1, 2024
Symmetric Electron Transfer Coordinates are Intrinsic to Bridged Systems: An ab Initio Treatment of the Creutz-Taube IonAdam Šrut, Benjamin J Lear, Vera Krewald
Physical Chemistry Chemical Physics : PCCP|January 15, 2016
Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analoguesVera Krewald, Frank Neese, Dimitrios A Pantazis
Journal of Chemical Theory and Computation|December 7, 2017
Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese ComplexMichael Roemelt, Vera Krewald, Dimitrios A Pantazis
Journal of Inorganic Biochemistry|August 13, 2019
Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem IIVera Krewald, Frank Neese, Dimitrios A Pantazis
Chemical Communications (Cambridge, England)|January 11, 2021
Spectroscopic discernibility of dopants and axial ligands in pyridinic FeN<sub>4</sub> environments relevant to single-atom catalystsCharlotte Gallenkamp, Ulrike I Kramm, Vera Krewald
JACS Au|April 1, 2024
FeN<sub>4</sub> Environments upon Reduction: A Computational Analysis of Spin States, Spectroscopic Properties, and Active SpeciesCharlotte Gallenkamp, Ulrike I Kramm, Vera Krewald
Chemical Science|September 1, 2023
The Marcus dimension: identifying the nuclear coordinate for electron transfer from <i>ab initio</i> calculationsAdam Šrut, Benjamin J Lear, Vera Krewald
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 4, 2022
Revisiting the Fundamental Nature of Metal-Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model ParametersMoritz Buchhorn, Robert J Deeth, Vera Krewald
The Journal of Chemical Physics|June 21, 2012
Water dynamics in silica nanopores: the self-intermediate scattering functionsAnatoli A Milischuk, Vera Krewald, Branka M Ladanyi
The Journal of Physical Chemistry Letters|October 16, 2019
Orbital Entanglement Analysis of Exchange-Coupled SystemsChristopher J Stein, Dimitrios A Pantazis, Vera Krewald
Pageof 8

Showing results (21-30 of 78) with videos related to

Sort By:
Pageof 8
Angewandte Chemie (International Ed. in English)|July 1, 2024
Symmetric Electron Transfer Coordinates are Intrinsic to Bridged Systems: An ab Initio Treatment of the Creutz-Taube IonAdam Šrut, Benjamin J Lear, Vera Krewald
Physical Chemistry Chemical Physics : PCCP|January 15, 2016
Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analoguesVera Krewald, Frank Neese, Dimitrios A Pantazis
Journal of Chemical Theory and Computation|December 7, 2017
Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese ComplexMichael Roemelt, Vera Krewald, Dimitrios A Pantazis
Journal of Inorganic Biochemistry|August 13, 2019
Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem IIVera Krewald, Frank Neese, Dimitrios A Pantazis
Chemical Communications (Cambridge, England)|January 11, 2021
Spectroscopic discernibility of dopants and axial ligands in pyridinic FeN<sub>4</sub> environments relevant to single-atom catalystsCharlotte Gallenkamp, Ulrike I Kramm, Vera Krewald
JACS Au|April 1, 2024
FeN<sub>4</sub> Environments upon Reduction: A Computational Analysis of Spin States, Spectroscopic Properties, and Active SpeciesCharlotte Gallenkamp, Ulrike I Kramm, Vera Krewald
Chemical Science|September 1, 2023
The Marcus dimension: identifying the nuclear coordinate for electron transfer from <i>ab initio</i> calculationsAdam Šrut, Benjamin J Lear, Vera Krewald
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 4, 2022
Revisiting the Fundamental Nature of Metal-Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model ParametersMoritz Buchhorn, Robert J Deeth, Vera Krewald
The Journal of Chemical Physics|June 21, 2012
Water dynamics in silica nanopores: the self-intermediate scattering functionsAnatoli A Milischuk, Vera Krewald, Branka M Ladanyi
The Journal of Physical Chemistry Letters|October 16, 2019
Orbital Entanglement Analysis of Exchange-Coupled SystemsChristopher J Stein, Dimitrios A Pantazis, Vera Krewald
Pageof 8