Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6x– (x = 3, 2) MW Löble, JM Keith, AB Altman, SCE Stieber, ER Batista, KS Boland, ... Journal of the American Chemical Society 137 (7), 2506-2523, 2015 | 211 | 2015 |
Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl62– (M = Ti, Zr, Hf, U) and UOCl5– Using Cl K-Edge X-ray Absorption Spectroscopy … SG Minasian, JM Keith, ER Batista, KS Boland, DL Clark, SD Conradson, ... Journal of the American Chemical Society 134 (12), 5586-5597, 2012 | 203 | 2012 |
New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory SG Minasian, JM Keith, ER Batista, KS Boland, DL Clark, SA Kozimor, ... Chemical Science 5 (1), 351-359, 2014 | 152 | 2014 |
Energy-degeneracy-driven covalency in actinide bonding J Su, ER Batista, KS Boland, SE Bone, JA Bradley, SK Cary, DL Clark, ... Journal of the American Chemical Society 140 (51), 17977-17984, 2018 | 126 | 2018 |
Pd-mediated activation of molecular oxygen in a nonpolar medium JM Keith, RJ Nielsen, J Oxgaard, WA Goddard Journal of the American Chemical Society 127 (38), 13172-13179, 2005 | 112 | 2005 |
A Computational Model Relating Structure and Reactivity in Enantioselective Oxidations of Secondary Alcohols by (−)-Sparteine−PdII Complexes RJ Nielsen, JM Keith, BM Stoltz, WA Goddard Journal of the American Chemical Society 126 (25), 7967-7974, 2004 | 112 | 2004 |
Mechanism of direct molecular oxygen insertion in a palladium (II)− hydride bond JM Keith, RP Muller, RA Kemp, KI Goldberg, WA Goddard, J Oxgaard Inorganic chemistry 45 (24), 9631-9633, 2006 | 107 | 2006 |
Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2 SG Minasian, ER Batista, CH Booth, DL Clark, JM Keith, SA Kozimor, ... Journal of the American Chemical Society 139 (49), 18052-18064, 2017 | 90 | 2017 |
Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of dithiophosphinate extractants: Minor actinide selectivity and electronic structure … SR Daly, JM Keith, ER Batista, KS Boland, DL Clark, SA Kozimor, ... Journal of the American Chemical Society 134 (35), 14408-14422, 2012 | 72 | 2012 |
Covalency in metal–oxygen multiple bonds evaluated using oxygen K-edge spectroscopy and electronic structure theory SG Minasian, JM Keith, ER Batista, KS Boland, JA Bradley, SR Daly, ... Journal of the American Chemical Society 135 (5), 1864-1871, 2013 | 68 | 2013 |
The Osmium–Silicon Triple Bond: Synthesis, Characterization, and Reactivity of an Osmium Silylyne Complex PG Hayes, Z Xu, C Beddie, JM Keith, MB Hall, TD Tilley Journal of the American Chemical Society 135 (32), 11780-11783, 2013 | 65 | 2013 |
Theoretical Examination of the Thermodynamic Factors in the Selective Extraction of Am3+ from Eu3+ by Dithiophosphinic Acids JM Keith, ER Batista Inorganic chemistry 51 (1), 13-15, 2012 | 65 | 2012 |
Pd-mediated activation of molecular oxygen: Pd (0) versus direct insertion JM Keith, WA Goddard, J Oxgaard Journal of the American Chemical Society 129 (34), 10361-10369, 2007 | 65 | 2007 |
The duality of electron localization and covalency in lanthanide and actinide metallocenes DE Smiles, ER Batista, CH Booth, DL Clark, JM Keith, SA Kozimor, ... Chemical Science 11 (10), 2796-2809, 2020 | 51 | 2020 |
Carbon K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Examination of Metal–Carbon Bonding in Metallocene Dichlorides SG Minasian, JM Keith, ER Batista, KS Boland, SA Kozimor, RL Martin, ... Journal of the American Chemical Society 135 (39), 14731-14740, 2013 | 50 | 2013 |
Validating the biphilic hypothesis of nontrigonal phosphorus (III) compounds K Lee, AV Blake, A Tanushi, SM McCarthy, D Kim, SM Loria, ... Angewandte Chemie International Edition 58 (21), 6993-6998, 2019 | 46 | 2019 |
Mechanism for Activation of Molecular Oxygen by cis- and trans-(Pyridine)2Pd(OAc)H: Pd0 versus Direct Insertion JM Keith, WA Goddard III Journal of the American Chemical Society 131 (4), 1416-1425, 2009 | 46 | 2009 |
Potential Hydrogen Bottleneck in Nickel− Iron Hydrogenase JM Keith, MB Hall Inorganic chemistry 49 (14), 6378-6380, 2010 | 44 | 2010 |
Dehydroalkylative activation of CNN-and PNN-pincer ruthenium catalysts for ester hydrogenation T He, JC Buttner, EF Reynolds, J Pham, JC Malek, JM Keith, ... Journal of the American Chemical Society 141 (43), 17404-17413, 2019 | 42 | 2019 |
Ortho-Metalation Dynamics and Ligand Fluxionality in the Conversion of Os3(CO)10(dppm) to HOs3(CO)8[μ-PhP(C6H4-μ2,η1)CH2PPh2]: Experimental … SH Huang, JM Keith, MB Hall, MG Richmond Organometallics 29 (18), 4041-4057, 2010 | 36 | 2010 |