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Frank Neese

Showing results (541-550 of 560) with videos related to

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Chemistry (Weinheim an Der Bergstrasse, Germany)|June 28, 2017
[OsF<sub>6</sub> ]<sup>x-</sup> : Molecular Models for Spin-Orbit Entangled PhenomenaKasper S Pedersen, Daniel N Woodruff, Saurabh Kumar Singh, et al.
Chemical Science|February 19, 2019
Reduction of CO<sub>2</sub> by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediateLisa Roy, Malik H Al-Afyouni, Daniel E DeRosha, et al.
Journal of the American Chemical Society|August 26, 2014
Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteinsHannah S Shafaat, Julia J Griese, Dimitrios A Pantazis, et al.
Inorganic Chemistry|September 23, 2010
Spectroscopic and computational studies of an end-on bound superoxo-Cu(II) complex: geometric and electronic factors that determine the ground stateJulia S Woertink, Li Tian, Debabrata Maiti, et al.
Inorganic Chemistry|December 24, 2009
Family of V(III)-tristhiolato complexes relevant to functional models of vanadium nitrogenase: synthesis and electronic structure investigations by means of high-frequency and -field electron paramagnetic resonance coupled to quantum chemical computationsShengfa Ye, Frank Neese, Andrew Ozarowski, et al.
Nature Communications|August 11, 2015
Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopyHideaki Ogata, Tobias Krämer, Hongxin Wang, et al.
Journal of the American Chemical Society|August 16, 2023
A Conserved Second Sphere Residue Tunes Copper Site Reactivity in Lytic Polysaccharide MonooxygenasesKelsi R Hall, Chris Joseph, Iván Ayuso-Fernández, et al.
Journal of the American Chemical Society|September 10, 2015
How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem IIMartha A Beckwith, William Ames, Fernando D Vila, et al.
Nature Methods|March 27, 2018
NAMD goes quantum: an integrative suite for hybrid simulationsMarcelo C R Melo, Rafael C Bernardi, Till Rudack, et al.
Inorganic Chemistry|August 7, 2019
What IS Inorganic Chemistry?William B Tolman, Alan L Balch, Suzanne Bart, et al.
Pageof 56

Showing results (541-550 of 560) with videos related to

Sort By:
Pageof 56
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 28, 2017
[OsF<sub>6</sub> ]<sup>x-</sup> : Molecular Models for Spin-Orbit Entangled PhenomenaKasper S Pedersen, Daniel N Woodruff, Saurabh Kumar Singh, et al.
Chemical Science|February 19, 2019
Reduction of CO<sub>2</sub> by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediateLisa Roy, Malik H Al-Afyouni, Daniel E DeRosha, et al.
Journal of the American Chemical Society|August 26, 2014
Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteinsHannah S Shafaat, Julia J Griese, Dimitrios A Pantazis, et al.
Inorganic Chemistry|September 23, 2010
Spectroscopic and computational studies of an end-on bound superoxo-Cu(II) complex: geometric and electronic factors that determine the ground stateJulia S Woertink, Li Tian, Debabrata Maiti, et al.
Inorganic Chemistry|December 24, 2009
Family of V(III)-tristhiolato complexes relevant to functional models of vanadium nitrogenase: synthesis and electronic structure investigations by means of high-frequency and -field electron paramagnetic resonance coupled to quantum chemical computationsShengfa Ye, Frank Neese, Andrew Ozarowski, et al.
Nature Communications|August 11, 2015
Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopyHideaki Ogata, Tobias Krämer, Hongxin Wang, et al.
Journal of the American Chemical Society|August 16, 2023
A Conserved Second Sphere Residue Tunes Copper Site Reactivity in Lytic Polysaccharide MonooxygenasesKelsi R Hall, Chris Joseph, Iván Ayuso-Fernández, et al.
Journal of the American Chemical Society|September 10, 2015
How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem IIMartha A Beckwith, William Ames, Fernando D Vila, et al.
Nature Methods|March 27, 2018
NAMD goes quantum: an integrative suite for hybrid simulationsMarcelo C R Melo, Rafael C Bernardi, Till Rudack, et al.
Inorganic Chemistry|August 7, 2019
What IS Inorganic Chemistry?William B Tolman, Alan L Balch, Suzanne Bart, et al.
Pageof 56