Marc Steinmetz
Marc Steinmetz
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How to compute isomerization energies of organic molecules with quantum chemical methods
S Grimme, M Steinmetz, M Korth
The Journal of Organic Chemistry 72 (6), 2118-2126, 2007
Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase
S Grimme, M Steinmetz
Physical Chemistry Chemical Physics 15 (38), 16031-16042, 2013
Highly Asymmetric NHC‐Catalyzed Hydroacylation of Unactivated Alkenes
I Piel, M Steinmetz, K Hirano, R Froehlich, S Grimme, F Glorius
Angewandte Chemie International Edition 50 (21), 4983-4987, 2011
Benchmark study of the performance of density functional theory for bond activations with (Ni, Pd)-based transition-metal catalysts
M Steinmetz, S Grimme
ChemistryOpen 2 (3), 115, 2013
Stereoelectronic substituent effects in saturated main group molecules: severe problems of current Kohn− Sham density functional theory
S Grimme, M Steinmetz, M Korth
Journal of Chemical Theory and Computation 3 (1), 42-45, 2007
Comprehensive thermochemical benchmark set of realistic closed-shell metal organic reactions
S Dohm, A Hansen, M Steinmetz, S Grimme, MP Checinski
Journal of chemical theory and computation 14 (5), 2596-2608, 2018
Mechanistic Studies on the Pd‐catalyzed Direct C H Arylation of 2‐Substituted Thiophene Derivatives with Arylpalladium Bipyridyl Complexes
M Steinmetz, K Ueda, S Grimme, J Yamaguchi, S Kirchberg, K Itami, ...
Chemistry–An Asian Journal 7 (6), 1256-1260, 2012
A computationally efficient double hybrid density functional based on the random phase approximation
S Grimme, M Steinmetz
Physical Chemistry Chemical Physics 18 (31), 20926-20937, 2016
Implementation of nuclear gradients of range‐separated hybrid density functionals and benchmarking on rotational constants for organic molecules
T Risthaus, M Steinmetz, S Grimme
Journal of Computational Chemistry 35 (20), 1509-1516, 2014
Copper‐Catalyzed Enantioselective [2+ 2] Cycloadditions of 2‐Nitrosopyridine with Ketenes
I Chatterjee, CK Jana, M Steinmetz, S Grimme, A Studer
Advanced Synthesis & Catalysis 352 (6), 945-948, 2010
Spin crossover in Fe (II) and Co (II) complexes with the same click-derived tripodal ligand
D Schweinfurth, S Demeshko, S Hohloch, M Steinmetz, JG Brandenburg, ...
Inorganic chemistry 53 (16), 8203-8212, 2014
Modeling transition metal reactions with range-separated functionals
M Seth, T Ziegler, M Steinmetz, S Grimme
Journal of chemical theory and computation 9 (5), 2286-2299, 2013
Accurate thermochemistry for large molecules with modern density functionals
M Steinmetz, A Hansen, S Ehrlich, T Risthaus, S Grimme
Density Functionals, 1-23, 2014
Different Reactivity Patterns in the Reactions of the Homologous Trimethylelement Compounds EMe3 (E = Al, Ga, In) with Methylhydrazine
W Uhl, T Abel, A Hepp, S Grimme, M Steinmetz
European Journal of Inorganic Chemistry 2008 (4), 543-551, 2008
Investigation of the complexation behaviour and catalysis of IBiox-[(−)-menthyl]· HOTf
C Lohre, C Nimphius, M Steinmetz, S Würtz, R Fröhlich, CG Daniliuc, ...
Tetrahedron 68 (37), 7636-7644, 2012
Asymmetric Intramolecular Hydroacylation of Unactivated Alkenes
I Piel, M Steinmetz, K Hirano, R Fröhlich, S Grimme, F Glorius
Synfacts 2011 (07), 0789-0789, 2011
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