| Significantly improved method for the Pd-catalyzed coupling of phenols with aryl halides: understanding ligand effects M Fioroni, NJ DeYonker Angewandte Chemie-International Edition 45 (26), 4321, 2006 | 403 | 2006 |
| The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods NJ DeYonker, TR Cundari, AK Wilson The Journal of chemical physics 124 (11), 2006 | 339 | 2006 |
| Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex WM Singh, T Baine, S Kudo, S Tian, XAN Ma, H Zhou, NJ DeYonker, ... Angewandte Chemie 124 (24), 6043-6046, 2012 | 324 | 2012 |
| Multireference character for 3d transition-metal-containing molecules W Jiang, NJ DeYonker, AK Wilson Journal of chemical theory and computation 8 (2), 460-468, 2012 | 286 | 2012 |
| Quantitative computational thermochemistry of transition metal species NJ DeYonker, KA Peterson, G Steyl, AK Wilson, TR Cundari The Journal of Physical Chemistry A 111 (44), 11269-11277, 2007 | 181 | 2007 |
| The correlation-consistent composite approach: Application to the G3/99 test set NJ DeYonker, T Grimes, S Yockel, A Dinescu, B Mintz, TR Cundari, ... The Journal of chemical physics 125 (10), 2006 | 170 | 2006 |
| Systematically convergent correlation consistent basis sets for molecular core− valence correlation effects: the third-row atoms gallium through Krypton NJ DeYonker, KA Peterson, AK Wilson The Journal of Physical Chemistry A 111 (44), 11383-11393, 2007 | 167 | 2007 |
| Toward accurate theoretical thermochemistry of first row transition metal complexes W Jiang, NJ DeYonker, JJ Determan, AK Wilson The Journal of Physical Chemistry A 116 (2), 870-885, 2012 | 161 | 2012 |
| Synthesis, air stability, photobleaching, and DFT modeling of blue light emitting platinum CCC-N-heterocyclic carbene pincer complexes X Zhang, AM Wright, NJ DeYonker, TK Hollis, NI Hammer, CE Webster, ... Organometallics 31 (5), 1664-1672, 2012 | 133 | 2012 |
| Accurate thermochemistry for transition metal complexes from first-principles calculations NJ DeYonker, TG Williams, AE Imel, TR Cundari, AK Wilson The Journal of chemical physics 131 (2), 2009 | 115 | 2009 |
| Towards the intrinsic error of the correlation consistent composite approach (ccCA) NJ DeYonker, BR Wilson, AW Pierpont, TR Cundari, AK Wilson Molecular Physics 107 (8-12), 1107-1121, 2009 | 112 | 2009 |
| Three-coordinate terminal imidoiron (III) complexes: structure, spectroscopy, and mechanism of formation RE Cowley, NJ DeYonker, NA Eckert, TR Cundari, S DeBeer, E Bill, ... Inorganic chemistry 49 (13), 6172-6187, 2010 | 110 | 2010 |
| Dinuclear Zn (II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: a density functional theory study H Gao, Z Ke, NJ DeYonker, J Wang, H Xu, ZW Mao, DL Phillips, C Zhao Journal of the American Chemical Society 133 (9), 2904-2915, 2011 | 67 | 2011 |
| Application of the correlation consistent composite approach (ccCA) to third-row (Ga− Kr) molecules NJ DeYonker, B Mintz, TR Cundari, AK Wilson Journal of Chemical Theory and Computation 4 (2), 328-334, 2008 | 65 | 2008 |
| Enthalpy of formation of the cyclohexadienyl radical and the C− H bond enthalpy of 1, 4-cyclohexadiene: An experimental and computational re-evaluation Y Gao, NJ DeYonker, EC Garrett III, AK Wilson, TR Cundari, P Marshall The Journal of Physical Chemistry A 113 (25), 6955-6963, 2009 | 60 | 2009 |
| Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach NJ DeYonker, DS Ho, AK Wilson, TR Cundari The Journal of Physical Chemistry A 111 (42), 10776-10780, 2007 | 60 | 2007 |
| Accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: assessment of the correlation consistent composite approach (ccCA) DS Ho, NJ DeYonker, AK Wilson, TR Cundari The Journal of Physical Chemistry A 110 (31), 9767-9770, 2006 | 54 | 2006 |
| Combined Experimental and Computational Studies on the Nature of Aromatic C− H Activation by Octahedral Ruthenium (II) Complexes: Evidence for σ-Bond Metathesis from Hammett … NJ DeYonker, NA Foley, TR Cundari, TB Gunnoe, JL Petersen Organometallics 26 (26), 6604-6611, 2007 | 52 | 2007 |
| A pseudopotential-based composite method: The relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y–Cd) ML Laury, NJ DeYonker, W Jiang, AK Wilson The Journal of chemical physics 135 (21), 2011 | 50 | 2011 |
| Taming the low-lying electronic states of FeH NJ DeYonker, WD Allen The Journal of chemical physics 137 (23), 2012 | 49 | 2012 |
