| Theoretical studies on reactions of transition-metal complexes S Niu, MB Hall Chemical reviews 100 (2), 353-406, 2000 | 991 | 2000 |
| Electronic structure and bonding in methyl-and perfluoromethyl (pentacarbonyl) manganese MB Hall, RF Fenske Inorganic Chemistry 11 (4), 768-775, 1972 | 654 | 1972 |
| Basis sets for transition metals: Optimized outer p functions M Couty, MB Hall Journal of computational chemistry 17 (11), 1359-1370, 1996 | 522 | 1996 |
| Computational studies of [NiFe] and [FeFe] hydrogenases PEM Siegbahn, JW Tye, MB Hall Chemical reviews 107 (10), 4414-4435, 2007 | 471 | 2007 |
| A capable bridging ligand for Fe-only hydrogenase: density functional calculations of a low-energy route for heterolytic cleavage and formation of dihydrogen HJ Fan, MB Hall Journal of the American Chemical Society 123 (16), 3828-3829, 2001 | 400 | 2001 |
| Rhodium boryl complexes in the catalytic, terminal functionalization of alkanes JF Hartwig, KS Cook, M Hapke, CD Incarvito, Y Fan, CE Webster, MB Hall Journal of the American Chemical Society 127 (8), 2538-2552, 2005 | 362 | 2005 |
| Theoretical Characterization of the Reaction Intermediates in a Model of the Nickel−Iron Hydrogenase of Desulfovibrio gigas S Niu, LM Thomson, MB Hall Journal of the American Chemical Society 121 (16), 4000-4007, 1999 | 234 | 1999 |
| Electron distributions and the chemical bond P Coppens, MB Hall Springer Science & Business Media, 2012 | 226 | 2012 |
| Flexible zirconium metal‐organic frameworks as bioinspired switchable catalysts S Yuan, L Zou, H Li, YP Chen, J Qin, Q Zhang, W Lu, MB Hall, HC Zhou Angewandte Chemie 128 (36), 10934-10938, 2016 | 224 | 2016 |
| Thermally stable homogeneous catalysts for alkane dehydrogenation MW Haenel, S Oevers, K Angermund, WC Kaska, HJ Fan, MB Hall Angewandte Chemie International Edition 40 (19), 3596-3600, 2001 | 218 | 2001 |
| Modeling the active sites in metalloenzymes. 3. Density functional calculations on models for [Fe]-hydrogenase: Structures and vibrational frequencies of the observed redox … Z Cao, MB Hall Journal of the American Chemical Society 123 (16), 3734-3742, 2001 | 218 | 2001 |
| Fundamental properties of small molecule models of Fe-only hydrogenase: computations relative to the definition of an entatic state in the active site IP Georgakaki, LM Thomson, EJ Lyon, MB Hall, MY Darensbourg Coordination chemistry reviews 238, 255-266, 2003 | 200 | 2003 |
| Experimental and computational evidence for a boron-assisted, σ-bond metathesis pathway for alkane borylation CE Webster, Y Fan, MB Hall, D Kunz, JF Hartwig Journal of the American Chemical Society 125 (4), 858-859, 2003 | 195 | 2003 |
| De Novo design of synthetic di-iron (I) complexes as structural models of the reduced form of iron− iron hydrogenase JW Tye, MY Darensbourg, MB Hall Inorganic Chemistry 45 (4), 1552-1559, 2006 | 190 | 2006 |
| Monomeric and oligomeric amine− borane σ-complexes of rhodium. Intermediates in the catalytic dehydrogenation of amine− boranes TM Douglas, AB Chaplin, AS Weller, X Yang, MB Hall Journal of the American Chemical Society 131 (42), 15440-15456, 2009 | 189 | 2009 |
| NONPARAMETERIZED MOLECULAR ORBITAL CALCULATIONS OF LIGAND‐BRIDGE FE2 (CO) 6X2‐TYPE DIMERS CONTAINING METAL‐METAL INTERACTIONS BK Teo, MB HALL, RF FENSKE, LF DAHL Chemischer Informationsdienst 7 (8), no-no, 1976 | 181 | 1976 |
| Electronic effects steer the mechanism of asymmetric hydrogenations of unfunctionalized aryl-substituted alkenes Y Fan, X Cui, K Burgess, MB Hall Journal of the American Chemical Society 126 (51), 16688-16689, 2004 | 180 | 2004 |
| Monoiron Hydrogenase Catalysis: Hydrogen Activation with the Formation of a Dihydrogen, Fe−Hδ−···Hδ+−O, Bond and Methenyl-H4MPT+ Triggered Hydride … X Yang, MB Hall Journal of the American Chemical Society 131 (31), 10901-10908, 2009 | 176 | 2009 |
| Theoretical comparison between nucleophilic and electrophilic transition metal carbenes using generalized molecular orbital and configuration interaction methods TE Taylor, MB Hall Journal of the American Chemical Society 106 (6), 1576-1584, 1984 | 170 | 1984 |
| Dual electron uptake by simultaneous iron and ligand reduction in an N-heterocyclic carbene substituted [FeFe] hydrogenase model compound JW Tye, J Lee, HW Wang, R Mejia-Rodriguez, JH Reibenspies, MB Hall, ... Inorganic chemistry 44 (16), 5550-5552, 2005 | 163 | 2005 |
