Kathrin Hopmann
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Synthesis of indoles and pyrroles utilizing iridium carbenes generated from sulfoxonium ylides
J Vaitla, A Bayer, KH Hopmann
Angewandte Chemie International Edition 56 (15), 4277-4281, 2017
Computational inorganic and bioinorganic chemistry
EI Solomon, RA Scott, RB King
John Wiley & Sons, 2013
On the mechanism of iridium-catalyzed asymmetric hydrogenation of imines and alkenes: A theoretical study
KH Hopmann, A Bayer
Organometallics 30 (9), 2483-2497, 2011
Explicit versus implicit solvent modeling of Raman optical activity spectra
KH Hopmann, K Ruud, M Pecul, A Kudelski, M Dracinsky, P Bour
The Journal of Physical Chemistry B 115 (14), 4128-4137, 2011
Catalytic mechanism of limonene epoxide hydrolase, a theoretical study
KH Hopmann, BM Hallberg, F Himo
Journal of the American Chemical Society 127 (41), 14339-14347, 2005
Substrate specificity of the metalloproteinase pregnancy-associated plasma protein-A (PAPP-A) assessed by mutagenesis and analysis of synthetic peptides: substrate residues …
LS Laursen, MT Overgaard, CG Nielsen, HB Boldt, KH Hopmann, ...
Biochemical Journal 367 (1), 31-40, 2002
Quantum chemical modeling of the dehalogenation reaction of haloalcohol dehalogenase
KH Hopmann, F Himo
Journal of chemical theory and computation 4 (7), 1129-1137, 2008
Enantioselective imine hydrogenation with iridium-catalysts: reactions, mechanisms and stereocontrol
KH Hopmann, A Bayer
Coordination Chemistry Reviews 268, 59-82, 2014
Theoretical investigation of the first-shell mechanism of nitrile hydratase
KH Hopmann, JD Guo, F Himo
Inorganic chemistry 46 (12), 4850-4856, 2007
Enantioselective Incorporation of CO2: Status and Potential
J Vaitla, Y Guttormsen, JK Mannisto, A Nova, T Repo, A Bayer, ...
ACS catalysis 7 (10), 7231-7244, 2017
Determining the absolute configuration of two marine compounds using vibrational chiroptical spectroscopy
KH Hopmann, J Šebestķk, J Novotná, W Stensen, M Urbanová, ...
The Journal of organic chemistry 77 (2), 858-869, 2012
Theoretical study of the full reaction mechanism of human soluble epoxide hydrolase
KH Hopmann, F Himo
Chemistry–A European Journal 12 (26), 6898-6909, 2006
Calibration of DFT Functionals for the Prediction of 57Fe Mössbauer Spectral Parameters in Iron–Nitrosyl and Iron–Sulfur Complexes: Accurate Geometries Prove …
GM Sandala, KH Hopmann, A Ghosh, L Noodleman
Journal of chemical theory and computation 7 (10), 3232-3247, 2011
Density functional theory calculations on mossbauer parameters of nonheme iron nitrosyls
KH Hopmann, A Ghosh, L Noodleman
Inorganic chemistry 48 (19), 9155-9165, 2009
How accurate is DFT for iridium-mediated chemistry?
KH Hopmann
Organometallics 35 (22), 3795-3807, 2016
Mechanism of cobalt-porphyrin–catalyzed aziridination
KH Hopmann, A Ghosh
ACS Catalysis 1 (6), 597-600, 2011
Hemoglobin as a Nitrite Anhydrase: Modeling MethemoglobinMediated N2O3 Formation
KH Hopmann, B Cardey, MT Gladwin, DB Kim‐Shapiro, A Ghosh
Chemistry–A European Journal 17 (23), 6348-6358, 2011
Determination of absolute configuration and conformation of a cyclic dipeptide by NMR and chiral spectroscopic methods
X Li, KH Hopmann, J Hudecova, J Isaksson, J Novotna, W Stensen, ...
The Journal of Physical Chemistry A 117 (8), 1721-1736, 2013
Full reaction mechanism of nitrile hydratase: a cyclic intermediate and an unexpected disulfide switch
KH Hopmann
Inorganic chemistry 53 (6), 2760-2762, 2014
Broken-symmetry DFT spin densities of iron nitrosyls, including Roussin’s red and black salts: Striking differences between pure and hybrid functionals
KH Hopmann, J Conradie, A Ghosh
The Journal of Physical Chemistry B 113 (30), 10540-10547, 2009
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