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ACS Catalysis
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January 8, 2026
Deciphering Asymmetric Induction in Photoredox Catalysis by Chiral Counteranions
Lorenzo Baldinelli, Sofia Lerda, Riya Kayal, et al.
Journal of the American Chemical Society
|
September 5, 2002
Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin
Nicolai Lehnert, Frank Neese, Raymond Y N Ho, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 19, 2012
Electronic structure analysis of the oxygen-activation mechanism by Fe(II)- and α-ketoglutarate (αKG)-dependent dioxygenases
Shengfa Ye, Christoph Riplinger, Andreas Hansen, et al.
Inorganic Chemistry
|
December 25, 2015
Spin State as a Marker for the Structural Evolution of Nature's Water-Splitting Catalyst
Vera Krewald, Marius Retegan, Frank Neese, et al.
Journal of the American Chemical Society
|
December 16, 2024
Direct Determination of a Giant Zero-Field Splitting of 5422 cm<sup>-1</sup> in a Triplet Organobismuthinidene by Infrared Electron Paramagnetic Resonance
Tarek Al Said, Davide Spinnato, Karsten Holldack, et al.
Journal of the American Chemical Society
|
April 7, 2021
Productive Alkyne Metathesis with "Canopy Catalysts" Mandates Pseudorotation
Alexander Haack, Julius Hillenbrand, Markus Leutzsch, et al.
Journal of Chemical Theory and Computation
|
November 3, 2023
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules
Yuqi Wang, Yang Guo, Frank Neese, et al.
Inorganic Chemistry
|
June 4, 2011
Theoretical determination of the zero-field splitting in copper acetate monohydrate
Rémi Maurice, Kanthen Sivalingam, Dmitry Ganyushin, et al.
Inorganic Chemistry
|
June 18, 2010
Reversible apical coordination of imidazole between the Ni(III) and Ni(II) oxidation states of a dithiolate complex: a process related to the Ni superoxide dismutase
Marcello Gennari, Maylis Orio, Jacques Pécaut, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
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of 56
Search research articles
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Showing results (351-360 of 560) with videos related to
Sort By:
Page
of 56
ACS Catalysis
|
January 8, 2026
Deciphering Asymmetric Induction in Photoredox Catalysis by Chiral Counteranions
Lorenzo Baldinelli, Sofia Lerda, Riya Kayal, et al.
Journal of the American Chemical Society
|
September 5, 2002
Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin
Nicolai Lehnert, Frank Neese, Raymond Y N Ho, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 19, 2012
Electronic structure analysis of the oxygen-activation mechanism by Fe(II)- and α-ketoglutarate (αKG)-dependent dioxygenases
Shengfa Ye, Christoph Riplinger, Andreas Hansen, et al.
Inorganic Chemistry
|
December 25, 2015
Spin State as a Marker for the Structural Evolution of Nature's Water-Splitting Catalyst
Vera Krewald, Marius Retegan, Frank Neese, et al.
Journal of the American Chemical Society
|
December 16, 2024
Direct Determination of a Giant Zero-Field Splitting of 5422 cm<sup>-1</sup> in a Triplet Organobismuthinidene by Infrared Electron Paramagnetic Resonance
Tarek Al Said, Davide Spinnato, Karsten Holldack, et al.
Journal of the American Chemical Society
|
April 7, 2021
Productive Alkyne Metathesis with "Canopy Catalysts" Mandates Pseudorotation
Alexander Haack, Julius Hillenbrand, Markus Leutzsch, et al.
Journal of Chemical Theory and Computation
|
November 3, 2023
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules
Yuqi Wang, Yang Guo, Frank Neese, et al.
Inorganic Chemistry
|
June 4, 2011
Theoretical determination of the zero-field splitting in copper acetate monohydrate
Rémi Maurice, Kanthen Sivalingam, Dmitry Ganyushin, et al.
Inorganic Chemistry
|
June 18, 2010
Reversible apical coordination of imidazole between the Ni(III) and Ni(II) oxidation states of a dithiolate complex: a process related to the Ni superoxide dismutase
Marcello Gennari, Maylis Orio, Jacques Pécaut, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Page
of 56