| Density functional theory study of the reaction mechanism and energetics of the reduction of hydrogen peroxide by ebselen, ebselen diselenide, and ebselen selenol JK Pearson, RJ Boyd The Journal of Physical Chemistry A 111 (16), 3152-3160, 2007 | 65 | 2007 |
| Effect of substituents on the GPx-like activity of ebselen: steric versus electronic JK Pearson, RJ Boyd The Journal of Physical Chemistry A 112 (5), 1013-1017, 2008 | 60 | 2008 |
| TSNet: predicting transition state structures with tensor field networks and transfer learning R Jackson, W Zhang, J Pearson Chemical Science 12 (29), 10022-10040, 2021 | 50 | 2021 |
| Modeling the reduction of hydrogen peroxide by glutathione peroxidase mimics JK Pearson, RJ Boyd The Journal of Physical Chemistry A 110 (28), 8979-8985, 2006 | 46 | 2006 |
| An evaluation of various computational methods for the treatment of organoselenium compounds JK Pearson, F Ban, RJ Boyd The Journal of Physical Chemistry A 109 (45), 10373-10379, 2005 | 41 | 2005 |
| Can correlation bring electrons closer together? JK Pearson, PMW Gill, JM Ugalde, RJ Boyd Molecular Physics 107 (8-12), 1089-1093, 2009 | 38 | 2009 |
| Controlled radical polymerization of vinyl acetate mediated by a bis (imino) pyridine vanadium complex LEN Allan, ED Cross, TW Francis-Pranger, ME Hanhan, MR Jones, ... Macromolecules 44 (11), 4072-4081, 2011 | 36 | 2011 |
| Ab initio investigations of dipeptide structures CD Keefe, JK Pearson Journal of Molecular Structure: THEOCHEM 679 (1-2), 65-72, 2004 | 31 | 2004 |
| Intracule functional models. IV. Basis set effects JK Pearson, DL Crittenden, PMW Gill The Journal of chemical physics 130 (16), 2009 | 28 | 2009 |
| Design of coordination polymers with 4′-substituted functionalized terpyridyls in the backbone and pendent cyclopentadienyliron moieties AS Abd-El-Aziz, JL Pilfold, BZ Momeni, AJ Proud, JK Pearson Polymer Chemistry 5 (10), 3453-3465, 2014 | 27 | 2014 |
| Introducing the practical aspects of computational chemistry to undergraduate chemistry students JK Pearson Journal of chemical education 84 (8), 1323, 2007 | 27 | 2007 |
| Optical constants and vibrational assignment of liquid toluene-d8 between 4000 and 450 cm− 1 at 25° C CD Keefe, JK Pearson, A MacDonald Journal of molecular structure 655 (1), 69-80, 2003 | 23 | 2003 |
| Isolation, biomimetic synthesis, and cytotoxic activity of bis (pseudopterane) amines AS Kate, JK Pearson, B Ramanathan, K Richard, RG Kerr Journal of natural products 72 (7), 1331-1334, 2009 | 21 | 2009 |
| Design of blue fluorescence emitter star-shaped macromolecules based on pyrene and anthracene AS Abd-El-Aziz, AA Abdelghani, BD Wagner, JK Pearson, MK Awad Polymer 98, 210-228, 2016 | 20 | 2016 |
| Isolation and Structure Elucidation of Satosporin A and B: New Polyketides from Kitasatospora griseola JC Arens, F Berrué, JK Pearson, RG Kerr Organic Letters 15 (15), 3864-3867, 2013 | 20 | 2013 |
| A shared-weight neural network architecture for predicting molecular properties TA Profitt, JK Pearson Physical Chemistry Chemical Physics 21 (47), 26175-26183, 2019 | 15 | 2019 |
| Understanding the electronic structure, reactivity, and hydrogen bonding for a 1, 2-diphosphonium dication DJ Wolstenholme, JJ Weigand, RJ Davidson, JK Pearson, TS Cameron The Journal of Physical Chemistry A 112 (15), 3424-3431, 2008 | 15 | 2008 |
| New technique for determining the optical constants of liquids CD Keefe, JK Pearson Applied spectroscopy 56 (7), 928-934, 2002 | 14 | 2002 |
| Design of piperazine organoiron macromolecules with antibacterial and anticancer activity AS Abd‐El‐Aziz, AA Abdelghani, JK Pearson, MK Awad, DP Overy, ... Macromolecular Chemistry and Physics 217 (8), 987-996, 2016 | 13 | 2016 |
| A simultaneous probability density for the intracule and extracule coordinates AJ Proud, JK Pearson The Journal of chemical physics 133 (13), 2010 | 12 | 2010 |
