| Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes G Frenking, K Wichmann, N Fröhlich, C Loschen, M Lein, J Frunzke, ... Coordination chemistry reviews 238, 55-82, 2003 | 451 | 2003 |
| Iron Bispentazole Fe(η5‐N5)2, a Theoretically Predicted High‐Energy Compound: Structure, Bonding Analysis, Metal–Ligand Bond Strength and a Comparison … M Lein, J Frunzke, A Timoshkin, G Frenking Chemistry–A European Journal 7 (19), 4155-4163, 2001 | 199 | 2001 |
| Why Do the Heavy-Atom Analogues of Acetylene E2H2 (E = Si−Pb) Exhibit Unusual Structures? M Lein, A Krapp, G Frenking Journal of the American Chemical Society 127 (17), 6290-6299, 2005 | 197 | 2005 |
| Homogeneous gold catalysis: mechanism and relativistic effects of the addition of water to propyne M Lein, M Rudolph, SK Hashmi, P Schwerdtfeger Organometallics 29 (10), 2206-2210, 2010 | 169 | 2010 |
| Characterization of agostic interactions in theory and computation M Lein Coordination Chemistry Reviews 253 (5-6), 625-634, 2009 | 169 | 2009 |
| Structures, Metal−Ligand Bond Strength, and Bonding Analysis of Ferrocene Derivatives with Group-15 Heteroligands Fe(η5-E5)2 and FeCp(η5-E5) (E = N, P … J Frunzke, M Lein, G Frenking Organometallics 21 (16), 3351-3359, 2002 | 160 | 2002 |
| Reduction vs. addition: the reaction of an aluminyl anion with 1, 3, 5, 7‐cyclooctatetraene RJ Schwamm, MD Anker, M Lein, MP Coles Angewandte Chemie International Edition 58 (5), 1489-1493, 2019 | 154 | 2019 |
| Theory and applications of computational chemistry: the first 40 years M Lein, G Frenking Dykstra, CE, 291, 2005 | 151 | 2005 |
| Energy decomposition analysis of the chemical bond in main group and transition metal compounds M Lein, A Szabó, A Kovács, G Frenking Faraday Discussions 124, 365-378, 2003 | 151 | 2003 |
| Energy decomposition analysis of the chemical bond in main group and transition metal compounds M Lein, A Szabó, A Kovács, G Frenking Faraday Discussions 124, 365-378, 2003 | 151 | 2003 |
| C5H4BR2 Bending in Ferrocenylboranes: A Delocalized Through‐Space Interaction Between Iron and Boron M Scheibitz, M Bolte, JW Bats, HW Lerner, I Nowik, RH Herber, A Krapp, ... Chemistry–A European Journal 11 (2), 584-603, 2005 | 136 | 2005 |
| Structures and bonding of the sandwich complexes [Ti (η5-E5) 2] 2-(E= CH, N, P, As, Sb): A theoretical study M Lein, J Frunzke, G Frenking Inorganic chemistry 42 (8), 2504-2511, 2003 | 111 | 2003 |
| Search for a parity-violating energy difference between enantiomers of a chiral iron complex AS Lahamer, SM Mahurin, RN Compton, D House, JK Laerdahl, M Lein, ... Physical review letters 85 (21), 4470, 2000 | 102 | 2000 |
| Isolation and characterization of a bismuth (II) radical RJ Schwamm, JR Harmer, M Lein, CM Fitchett, S Granville, MP Coles Angewandte Chemie International Edition 54 (36), 10630-10633, 2015 | 95 | 2015 |
| Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems A Hermann, RP Krawczyk, M Lein, P Schwerdtfeger, IP Hamilton, ... Physical Review A 76 (1), 013202, 2007 | 94 | 2007 |
| Bi− P Bond Homolysis as a Route to Reduced Bismuth Compounds and Reversible Activation of P4 RJ Schwamm, M Lein, MP Coles, CM Fitchett Angewandte Chemie International Edition 55 (47), 14798-14801, 2016 | 74 | 2016 |
| A Novel Class of Aromatic Compounds: Metal‐Centered Planar Cations [Fe (Sb5)]+ and [Fe (Bi5)]+ M Lein, J Frunzke, G Frenking Angewandte Chemie International Edition 42 (11), 1303-1306, 2003 | 72 | 2003 |
| Metal Germylyne Complexes [M⋮ Ge− R] and Metallogermylenes [M− Ge− R]: DFT Analysis of the Systems [(Cp)(CO) n M⋮ GeMe](M= Cr, Mo, W, Fe2+, n= 2; M= Fe, n= 1) and [(Cp)(CO) n M … KK Pandey, M Lein, G Frenking Journal of the American Chemical Society 125 (6), 1660-1668, 2003 | 67 | 2003 |
| Catalytic oxidative coupling promoted by bismuth TEMPOxide complexes RJ Schwamm, M Lein, MP Coles, CM Fitchett Chemical communications 54 (8), 916-919, 2018 | 58 | 2018 |
| The search for the species with the highest coordination number A Hermann, M Lein, P Schwerdtfeger Angewandte Chemie International Edition 46 (14), 2444-2447, 2007 | 50 | 2007 |
