Destruction of chemical warfare agents using metal–organic frameworks JE Mondloch, MJ Katz, WC Isley III, P Ghosh, P Liao, W Bury, GW Wagner, ... Nature materials 14 (5), 512-516, 2015 | 924 | 2015 |
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4 K Lee, WC Isley III, AL Dzubak, P Verma, SJ Stoneburner, LC Lin, ... Journal of the American Chemical Society 136 (2), 698-704, 2013 | 185 | 2013 |
Proof for the concerted inversion mechanism in the trans→ cis isomerization of azobenzene using hydrogen bonding to induce isomer locking HMD Bandara, TR Friss, MM Enriquez, W Isley, C Incarvito, HA Frank, ... The Journal of organic chemistry 75 (14), 4817-4827, 2010 | 115 | 2010 |
Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols E Awoonor‐Williams, WC Isley III, SG Dale, ER Johnson, H Yu, AD Becke, ... Journal of computational chemistry 41 (5), 427-438, 2020 | 46 | 2020 |
Electrochemical Reduction of 2, 4-Dinitrotoluene in Aprotic and pH-Buffered Media EJ Olson, WC Isley III, JE Brennan, CJ Cramer, P Bühlmann The Journal of Physical Chemistry C 119 (23), 13088-13097, 2015 | 46 | 2015 |
Empirical and Theoretical Insights into the Structural Features and Host–Guest Chemistry of M8L4 Tube Architectures W Meng, AB League, TK Ronson, JK Clegg, WC Isley III, D Semrouni, ... Journal of the American Chemical Society 136 (10), 3972-3980, 2014 | 43 | 2014 |
Ab initio extension of the AMOEBA polarizable force field to Fe2+ D Semrouni, WC Isley III, C Clavaguéra, JP Dognon, CJ Cramer, ... Journal of Chemical Theory and Computation 9 (7), 3062-3071, 2013 | 40 | 2013 |
Predicting paramagnetic 1 H NMR chemical shifts and state-energy separations in spin-crossover host–guest systems WC Isley III, S Zarra, RK Carlson, RA Bilbeisi, TK Ronson, JR Nitschke, ... Physical Chemistry Chemical Physics 16 (22), 10620-10628, 2014 | 37 | 2014 |
Optimization and Prediction of the Electron-Nuclear Dipolar and Scalar Interaction in 1H and 13C Liquid State Dynamic Nuclear Polarization X Wang, WC Isley III, S Salido, Z Sun, L Song, CJ Cramer, H Dorn Chemical Science, 2015 | 30 | 2015 |
Prediction of 19F NMR Chemical Shifts in Labeled Proteins: Computational Protocol and Case Study WC Isley III, AK Urick, WCK Pomerantz, CJ Cramer Molecular pharmaceutics 13 (7), 2376-2386, 2016 | 29 | 2016 |
Molecular modeling characterization of a conformationally constrained monolayer-protected gold cluster NV Perera, W Isley, F Maran, JA Gascón The Journal of Physical Chemistry C 114 (38), 16043-16050, 2010 | 13 | 2010 |
In situ microscopy across scales for the characterization of crystal growth mechanisms: the case of europium oxalate JA Soltis, WC Isley, M Conroy, SM Kathmann, EC Buck, GJ Lumetta CrystEngComm 20 (20), 2822-2833, 2018 | 11 | 2018 |
Electric Potentials of Metastable Salt Clusters EO Fetisov, WC Isley III, GJ Lumetta, SM Kathmann The Journal of Physical Chemistry C 123 (22), 14010-14023, 2019 | 4 | 2019 |
Factors Affecting Recognition and Chemical Reactivity at the Macromolecular Scale WC Isley III UNIVERSITY OF MINNESOTA, 2015 | | 2015 |
Factors Affecting Recognition and Chemical Reactivity in Macromolecular Systems W Isley III | | 2015 |
Enhancing and Predicting the Electron-Nuclear Scalar and Dipolar Interaction in Liquid State Dynamic Nuclear Polarization X Wang, WC Isley III, SI Salido, Z Sun, L Song, CJ Cramer, HC Dorn Chem. Sci 6, 6482, 2015 | | 2015 |
Predicting paramagnetic chemical shifts and state-energy separations in host-guest spin crossover complexes WC Isley III, S Zarra, T Ronson, R Carlson, JR Nitschke, L Gagliardi, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
STRATEGIES FOR SUPPRESSING RADICAL CHEMISTRY IN HAIR COLORING PRODUCTS JM Marsh, KR Naqvi, S Godfrey, MG Davis, MJ Flagler, J Hao, CP Kelly, ... | | |