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 | 287 | 2013 |
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 | 279 | 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 | 246 | 2018 |
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 | 208 | 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), 115-124, 2013 | 185 | 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 | 96 | 2007 |
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 | 66 | 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 | 65 | 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 | 60 | 2014 |
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 | 51 | 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 | 44 | 2010 |
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 | 30 | 2013 |
Accurate thermochemistry for large molecules with modern density functionals M Steinmetz, A Hansen, S Ehrlich, T Risthaus, S Grimme Density Functionals: Thermochemistry, 1-23, 2015 | 26 | 2015 |
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 | 17 | 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 | 12 | 2012 |
Practical Synthesis of Chiral N-Heterocyclic Carbene Triazolium Salts Containing a Hydroxy Functional Handle V Dhayalan, K Mal, A Milo Synthesis 51 (14), 2845-2864, 2019 | 7 | 2019 |
Endoscopic Endonasal Approach to Foramen Magnum Meningioma—Technical Note and Case Example FR Romero, RB Vieira, B da Costa Ancheschi Arquivos Brasileiros de Neurocirurgia: Brazilian Neurosurgery 37 (04), 362-366, 2018 | | 2018 |
Asymmetric Intramolecular Hydroacylation of Unactivated Alkenes I Piel, M Steinmetz, K Hirano, R Fröhlich, S Grimme, F Glorius Synfacts 2011 (07), 0789-0789, 2011 | | 2011 |