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Frank Neese

Showing results (401-410 of 560) with videos related to

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Journal of the American Chemical Society|March 24, 2005
The electronic structure of the isoelectronic, square-planar complexes [FeII(L)2]2- and [CoIII(L Bu)2]- (L2- and (L Bu)2-=benzene-1,2-dithiolates): an experimental and density functional theoretical studyKallol Ray, Ameerunisha Begum, Thomas Weyhermüller, et al.
Inorganic Chemistry|April 24, 2007
Synthesis and spectroscopic characterization of copper(II)-nitrito complexes with hydrotris(pyrazolyl)borate and related coligandsNicolai Lehnert, Ursula Cornelissen, Frank Neese, et al.
Chemical Science|June 5, 2018
A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water bindingMarius Retegan, Vera Krewald, Fikret Mamedov, et al.
Journal of the American Chemical Society|November 19, 2009
Catalysis via homolytic substitutions with C-O and Ti-O bonds: oxidative additions and reductive eliminations in single electron stepsAndreas Gansäuer, André Fleckhaus, Manuel Alejandre Lafont, et al.
Physical Chemistry Chemical Physics : PCCP|July 31, 2025
Revisiting the band gap problem in bulk Co<sub>3</sub>O<sub>4</sub> and its isostructural Zn and Al derivatives through the lens of theoretical spectroscopyAnneke Dittmer, Tiago Leyser da Costa Gouveia, Kantharuban Sivalingam, et al.
Inorganic Chemistry|April 25, 2024
Molybdenum(VI) Nitrido Complexes with Tripodal Silanolate Ligands. Structure and Electronic Character of an Unsymmetrical Dimolybdenum μ-Nitrido Complex Formed by Incomplete Nitrogen Atom TransferDaniel Rütter, Maurice van Gastel, Markus Leutzsch, et al.
Journal of the American Chemical Society|March 19, 2026
Revisiting NHC-Metal Bonding: π-Donation in Mid- to High-Valent Iron Nitrido Complexes Stabilizes the Fe(VI) Oxidation StateZihan Zhang, Weiqing Mao, Haowei Chen, et al.
Inorganic Chemistry|October 8, 2015
A trans-1,2 End-On Disulfide-Bridged Iron-Tetracarbene Dimer and Its Electronic StructureSteffen Meyer, Oliver Krahe, Claudia Kupper, et al.
Journal of Chemical Theory and Computation|August 27, 2016
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster FrameworkWolfgang B Schneider, Giovanni Bistoni, Manuel Sparta, et al.
Inorganic Chemistry|October 3, 2015
Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field SplittingsShelby E Stavretis, Mihail Atanasov, Andrey A Podlesnyak, et al.
Pageof 56

Showing results (401-410 of 560) with videos related to

Sort By:
Pageof 56
Journal of the American Chemical Society|March 24, 2005
The electronic structure of the isoelectronic, square-planar complexes [FeII(L)2]2- and [CoIII(L Bu)2]- (L2- and (L Bu)2-=benzene-1,2-dithiolates): an experimental and density functional theoretical studyKallol Ray, Ameerunisha Begum, Thomas Weyhermüller, et al.
Inorganic Chemistry|April 24, 2007
Synthesis and spectroscopic characterization of copper(II)-nitrito complexes with hydrotris(pyrazolyl)borate and related coligandsNicolai Lehnert, Ursula Cornelissen, Frank Neese, et al.
Chemical Science|June 5, 2018
A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water bindingMarius Retegan, Vera Krewald, Fikret Mamedov, et al.
Journal of the American Chemical Society|November 19, 2009
Catalysis via homolytic substitutions with C-O and Ti-O bonds: oxidative additions and reductive eliminations in single electron stepsAndreas Gansäuer, André Fleckhaus, Manuel Alejandre Lafont, et al.
Physical Chemistry Chemical Physics : PCCP|July 31, 2025
Revisiting the band gap problem in bulk Co<sub>3</sub>O<sub>4</sub> and its isostructural Zn and Al derivatives through the lens of theoretical spectroscopyAnneke Dittmer, Tiago Leyser da Costa Gouveia, Kantharuban Sivalingam, et al.
Inorganic Chemistry|April 25, 2024
Molybdenum(VI) Nitrido Complexes with Tripodal Silanolate Ligands. Structure and Electronic Character of an Unsymmetrical Dimolybdenum μ-Nitrido Complex Formed by Incomplete Nitrogen Atom TransferDaniel Rütter, Maurice van Gastel, Markus Leutzsch, et al.
Journal of the American Chemical Society|March 19, 2026
Revisiting NHC-Metal Bonding: π-Donation in Mid- to High-Valent Iron Nitrido Complexes Stabilizes the Fe(VI) Oxidation StateZihan Zhang, Weiqing Mao, Haowei Chen, et al.
Inorganic Chemistry|October 8, 2015
A trans-1,2 End-On Disulfide-Bridged Iron-Tetracarbene Dimer and Its Electronic StructureSteffen Meyer, Oliver Krahe, Claudia Kupper, et al.
Journal of Chemical Theory and Computation|August 27, 2016
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster FrameworkWolfgang B Schneider, Giovanni Bistoni, Manuel Sparta, et al.
Inorganic Chemistry|October 3, 2015
Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field SplittingsShelby E Stavretis, Mihail Atanasov, Andrey A Podlesnyak, et al.
Pageof 56