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Inorganic Chemistry|September 29, 2009
Density functional theory calculations on Mössbauer parameters of nonheme iron nitrosylsKathrin H Hopmann, Abhik Ghosh, Louis NoodlemanChemistry (Weinheim an Der Bergstrasse, Germany)|July 13, 2010
Spin coupling in Roussin's red and black saltsKathrin H Hopmann, Louis Noodleman, Abhik GhoshJournal of Chemical Theory and Computation|November 1, 2011
Calibration of DFT Functionals for the Prediction of Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove EssentialGregory M Sandala, Kathrin H Hopmann, Abhik Ghosh, et al.The Journal of Physical Chemistry. B|September 2, 2009
Broken-symmetry DFT spin densities of iron nitrosyls, including Roussin's red and black salts: striking differences between pure and hybrid functionalsKathrin H Hopmann, Jeanet Conradie, Abhik GhoshThe Journal of Physical Chemistry. B|June 12, 2010
Understanding the unusually straight: a search for MO insights into linear {FeNO}(7) unitsJeanet Conradie, Kathrin H Hopmann, Abhik GhoshChemistry (Weinheim an Der Bergstrasse, Germany)|May 19, 2011
Hemoglobin as a nitrite anhydrase: modeling methemoglobin-mediated N2O3 formationKathrin H Hopmann, Bruno Cardey, Mark T Gladwin, et al.Inorganic Chemistry|July 24, 2015
Singlet-Triplet Gaps of Cobalt Nitrosyls: Insights from Tropocoronand ComplexesKathrin H Hopmann, Jeanet Conradie, Espen Tangen, et al.Inorganic Chemistry|March 7, 2014
Full reaction mechanism of nitrile hydratase: a cyclic intermediate and an unexpected disulfide switchKathrin H HopmannChemistry (Weinheim an Der Bergstrasse, Germany)|June 4, 2015
Iron/Brønsted Acid Catalyzed Asymmetric Hydrogenation: Mechanism and Selectivity-Determining InteractionsKathrin H HopmannJournal of Chemical Theory and Computation|December 5, 2015
Quantum Chemical Modeling of the Dehalogenation Reaction of Haloalcohol DehalogenaseKathrin H Hopmann, Fahmi HimoPageof 33