| Local spin AE Clark, ER Davidson The Journal of Chemical Physics 115 (16), 7382-7392, 2001 | 204 | 2001 |
| Beyond exciton theory: a time-dependent DFT and Franck− Condon study of perylene diimide and its chromophoric dimer AE Clark, C Qin, ADQ Li Journal of the American Chemical Society 129 (24), 7586-7595, 2007 | 200 | 2007 |
| DFT characterization of the optical and redox properties of natural pigments relevant to dye-sensitized solar cells C Qin, AE Clark Chemical physics letters 438 (1-3), 26-30, 2007 | 188 | 2007 |
| Mechanisms of water oxidation catalyzed by ruthenium diimine complexes JK Hurst, JL Cape, AE Clark, S Das, C Qin Inorganic chemistry 47 (6), 1753-1764, 2008 | 167 | 2008 |
| Density and wave function analysis of actinide complexes: What can fuzzy atom, atoms-in-molecules, Mulliken, Löwdin, and natural population analysis tell us? AE Clark, JL Sonnenberg, PJ Hay, RL Martin The Journal of chemical physics 121 (6), 2563-2570, 2004 | 125 | 2004 |
| ChemNetworks: A complex network analysis tool for chemical systems A Ozkanlar, AE Clark Journal of computational chemistry 35 (6), 495-505, 2014 | 120 | 2014 |
| Löwdin population analysis with and without rotational invariance G Bruhn, ER Davidson, I Mayer, AE Clark International journal of quantum chemistry 106 (9), 2065-2072, 2006 | 101 | 2006 |
| Structural and dielectric properties of quartz− water interfaces MCF Wander, AE Clark The Journal of Physical Chemistry C 112 (50), 19986-19994, 2008 | 86 | 2008 |
| Hydration properties of aqueous Pb (II) ion MCF Wander, AE Clark Inorganic chemistry 47 (18), 8233-8241, 2008 | 85 | 2008 |
| UDFT and MCSCF descriptions of the photochemical Bergman cyclization of enediynes AE Clark, ER Davidson, JM Zaleski Journal of the American Chemical Society 123 (11), 2650-2657, 2001 | 81 | 2001 |
| Trends in aqueous hydration across the 4f period assessed by reliable computational methods J Kuta, AE Clark Inorganic chemistry 49 (17), 7808-7817, 2010 | 80 | 2010 |
| Population analyses that utilize projection operators AE Clark, ER Davidson International journal of quantum chemistry 93 (6), 384-394, 2003 | 80 | 2003 |
| Local spin II ER Davidson, AE Clark Molecular Physics 100 (3), 373-383, 2002 | 77 | 2002 |
| A phenyliodonium ylide as a precursor for dicarboethoxycarbene: Demonstration of a strategy for carbene generation MB Camacho, AE Clark, TA Liebrecht, JAP DeLuca Journal of the American Chemical Society 122 (21), 5210-5211, 2000 | 72 | 2000 |
| Deconstructing hydrogen-bond networks in confined nanoporous materials: implications for alcohol–water separation CH Wang, P Bai, JI Siepmann, AE Clark The Journal of Physical Chemistry C 118 (34), 19723-19732, 2014 | 67 | 2014 |
| MoleculaRnetworks: An integrated graph theoretic and data mining tool to explore solvent organization in molecular simulation BL Mooney, LR Corrales, AE Clark Journal of computational chemistry 33 (8), 853-860, 2012 | 66 | 2012 |
| Analysis of wave functions for open-shell molecules ER Davidson, AE Clark Physical Chemistry Chemical Physics 9 (16), 1881-1894, 2007 | 64 | 2007 |
| ForceFit: a code to fit classical force fields to quantum mechanical potential energy surfaces B Waldher, J Kuta, S Chen, N Henson, AE Clark Journal of computational Chemistry 31 (12), 2307-2316, 2010 | 62 | 2010 |
| Density functional and basis set dependence of hydrated Ln (III) properties AE Clark Journal of Chemical Theory and Computation 4 (5), 708-718, 2008 | 60 | 2008 |
| Photothermally induced Bergman cyclization of metalloenediynes via near-infrared ligand-to-metal charge-transfer excitation BJ Kraft, NL Coalter, M Nath, AE Clark, AR Siedle, JC Huffman, ... Inorganic chemistry 42 (5), 1663-1672, 2003 | 60 | 2003 |