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Frontiers in Chemistry
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June 6, 2019
Steric Switching From Photochemical to Thermal N<sub>2</sub> Splitting: A Computational Analysis of the Isomerization Reaction {(Cp<sup>*</sup>)(Am)Mo}<sub>2</sub>(μ-η<sup>1</sup>:η<sup>1</sup>-N<sub>2</sub>) → {(Cp<sup>*</sup>)(Am)Mo}<sub>2</sub>(μ-N)<sub>2</sub>
Vera Krewald
Dalton Transactions (Cambridge, England : 2003)
|
May 11, 2018
Dinitrogen photoactivation: status quo and future perspectives
Vera Krewald
The Journal of Physical Chemistry. A
|
October 26, 2023
Vibrational Coherences of the Photoinduced Mixed-Valent Creutz-Taube Ion Revealed by Excited State Dynamics
Adam Šrut, Vera Krewald
Journal of Chemical Theory and Computation
|
May 19, 2026
Decomposition of Magnetic Coupling in μ-Oxo-Bridged Metal Complexes
Justin Krampe, Vera Krewald
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 18, 2017
A Valence-Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure
Vera Krewald, Leticia González
Dalton Transactions (Cambridge, England : 2003)
|
May 2, 2023
The π-interactions of ammonia ligands evaluated by <i>ab initio</i> ligand field theory
Moritz Buchhorn, Vera Krewald
Journal of Computational Chemistry
|
September 28, 2023
AOMadillo: A program for fitting angular overlap model parameters
Moritz Buchhorn, Vera Krewald
Dalton Transactions (Cambridge, England : 2003)
|
October 25, 2016
Understanding and tuning the properties of redox-accumulating manganese helicates
Vera Krewald, Dimitrios A Pantazis
Chemical Communications (Cambridge, England)
|
January 15, 2025
The temperature dependence of Mössbauer quadrupole splitting values: a quantum chemical analysis
Niklas von Rhein, Vera Krewald
Journal of the American Chemical Society
|
March 27, 2013
On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalysts
Vera Krewald, Frank Neese, Dimitrios A Pantazis
Page
of 7
Search research articles
Search
Showing results (1-10 of 64) with videos related to
Sort By:
Page
of 7
Frontiers in Chemistry
|
June 6, 2019
Steric Switching From Photochemical to Thermal N<sub>2</sub> Splitting: A Computational Analysis of the Isomerization Reaction {(Cp<sup>*</sup>)(Am)Mo}<sub>2</sub>(μ-η<sup>1</sup>:η<sup>1</sup>-N<sub>2</sub>) → {(Cp<sup>*</sup>)(Am)Mo}<sub>2</sub>(μ-N)<sub>2</sub>
Vera Krewald
Dalton Transactions (Cambridge, England : 2003)
|
May 11, 2018
Dinitrogen photoactivation: status quo and future perspectives
Vera Krewald
The Journal of Physical Chemistry. A
|
October 26, 2023
Vibrational Coherences of the Photoinduced Mixed-Valent Creutz-Taube Ion Revealed by Excited State Dynamics
Adam Šrut, Vera Krewald
Journal of Chemical Theory and Computation
|
May 19, 2026
Decomposition of Magnetic Coupling in μ-Oxo-Bridged Metal Complexes
Justin Krampe, Vera Krewald
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 18, 2017
A Valence-Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure
Vera Krewald, Leticia González
Dalton Transactions (Cambridge, England : 2003)
|
May 2, 2023
The π-interactions of ammonia ligands evaluated by <i>ab initio</i> ligand field theory
Moritz Buchhorn, Vera Krewald
Journal of Computational Chemistry
|
September 28, 2023
AOMadillo: A program for fitting angular overlap model parameters
Moritz Buchhorn, Vera Krewald
Dalton Transactions (Cambridge, England : 2003)
|
October 25, 2016
Understanding and tuning the properties of redox-accumulating manganese helicates
Vera Krewald, Dimitrios A Pantazis
Chemical Communications (Cambridge, England)
|
January 15, 2025
The temperature dependence of Mössbauer quadrupole splitting values: a quantum chemical analysis
Niklas von Rhein, Vera Krewald
Journal of the American Chemical Society
|
March 27, 2013
On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalysts
Vera Krewald, Frank Neese, Dimitrios A Pantazis
Page
of 7