| Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., 2016 | 22573* | 2016 |
| Gaussian 09 Revision A. 1, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc. Wallingford CT 139, 2009 | 4263* | 2009 |
| Gaussian 09, revision D. 01 M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., Wallingford CT, 2009 | 3285* | 2009 |
| Gaussian 09, Revis. B. 01, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford CT, 1-20, 2009 | 454* | 2009 |
| Gaussian development version MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Revision h 1, 2010 | 349 | 2010 |
| Theoretical Investigations of Uranyl− Ligand Bonding: Four-and Five-Coordinate Uranyl Cyanide, Isocyanide, Carbonyl, and Hydroxide Complexes JL Sonnenberg, PJ Hay, RL Martin, BE Bursten Inorganic chemistry 44 (7), 2255-2262, 2005 | 120 | 2005 |
| 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 | 118 | 2004 |
| Empirical valence-bond models for reactive potential energy surfaces using distributed Gaussians HB Schlegel, JL Sonnenberg Journal of chemical theory and computation 2 (4), 905-911, 2006 | 70 | 2006 |
| A Definitive Example of a Geometric “Entatic State” Effect: Electron-Transfer Kinetics for a Copper (II/I) Complex Involving A Quinquedentate Macrocyclic Trithiaether … G Chaka, JL Sonnenberg, HB Schlegel, MJ Heeg, G Jaeger, TJ Nelson, ... Journal of the American Chemical Society 129 (16), 5217-5227, 2007 | 64 | 2007 |
| Proton transfer studied using a combined ab initio reactive potential energy surface with quantum path integral methodology KF Wong, JL Sonnenberg, F Paesani, T Yamamoto, J Vaníček, W Zhang, ... Journal of chemical theory and computation 6 (9), 2566-2580, 2010 | 53 | 2010 |
| Distributed Gaussian valence bond surface derived from ab initio calculations JL Sonnenberg, KF Wong, GA Voth, HB Schlegel Journal of chemical theory and computation 5 (4), 949-961, 2009 | 43 | 2009 |
| Proteins with intrinsically disordered domains are preferentially recruited to polyglutamine aggregates MP Wear, D Kryndushkin, R O’Meally, JL Sonnenberg, RN Cole, ... PloS one 10 (8), e0136362, 2015 | 41 | 2015 |
| Theoretical Studies of AnII2(C8H8)2 (An = Th, Pa, U, and Np) Complexes: The Search for Double-Stuffed Actinide Metallocenes J Zhou, JL Sonnenberg, HB Schlegel Inorganic chemistry 49 (14), 6545-6551, 2010 | 34 | 2010 |
| Theoretical investigation of uranyl dihydroxide: oxo ligand exchange, water catalysis, and vibrational spectra HP Hratchian, JL Sonnenberg, PJ Hay, RL Martin, BE Bursten, ... The Journal of Physical Chemistry A 109 (38), 8579-8586, 2005 | 34 | 2005 |
| Spin contamination in inorganic chemistry calculations JL Sonnenberg, HB Schlegel, HP Hratchian Computational Inorganic and Bioinorganic Chemistry, 173-186, 2009 | 31 | 2009 |
| Automated approach to couple solubility with final pH and crystallinity for pharmaceutical discovery compounds C Seadeek, H Ando, SN Bhattachar, T Heimbach, JL Sonnenberg, ... Journal of pharmaceutical and biomedical analysis 43 (5), 1660-1666, 2007 | 24 | 2007 |
| Empirical valence bond models for reactive potential energy surfaces. II. Intramolecular proton transfer in pyridone and the Claisen reaction of allyl vinyl ether JL Sonnenberg, HB Schlegel Molecular Physics 105 (19-22), 2719-2729, 2007 | 17 | 2007 |
| Computational Tools for Calculating log β Values of Geochemically Relevant Uranium Organometallic Complexes ME Kirby, A Simperler, S Krevor, DJ Weiss, JL Sonnenberg The Journal of Physical Chemistry A 122 (40), 8007-8019, 2018 | 14 | 2018 |
| On the Role of f-Obitals in the Bonding in f-Element Complexes: the “Feudal” Model as Applied to Organoactinide and Actinide Aquo Complexes BE Bursten, EJ Palmer, JL Sonnenberg Recent Advances in Actinide Science, 157-162, 2006 | 12 | 2006 |
| Stability Series for the Complexation of Six Key Siderophore Functional Groups with Uranyl Using Density Functional Theory ME Kirby, JL Sonnenberg, A Simperler, DJ Weiss The Journal of Physical Chemistry A 124 (12), 2460-2472, 2020 | 11 | 2020 |
H. Bernhard SchlegelchemistryVerified email at chem.wayne.edu
