• BS Chemistry and Mathematics, The University of the South
• Ph.D. Chemistry, Georgia Tech

     Minimalist Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The D⁶-Metals,'' T. Takatani, J. S. Sears, and C. D. Sherrill, J. Phys. Chem. A 113, 9231-9236 (2009) (doi: 10.1021/jp903865t)

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The D²-Metals,'' J. S. Sears and C. D. Sherrill, J. Phys. Chem. A 112, 6741-6752 (2008) (doi: 10.1021/jp802249n)

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The 3d⁰-Metals,'' J. S. Sears and C. D. Sherrill, J. Phys. Chem. A 112, 3466-3477 (2008) (doi: 10.1021/jp711595w)

``The Electronic Structure of Oxo-Mn(salen): Single- And Multireference Approaches,'' J. S. Sears and C. D. Sherrill, J. Chem. Phys. 124, 144314 (2006) (PDF Full Text)(doi: 10.1063/1.2187974)

``Investigations Into the Stability of Tethered Pd^II Pincer Complexes During Heck Catalysis,'' W. J. Sommer, K. Yu, J. S. Sears, Y. Ji, X. Zheng, R. J. Davis, C. D. Sherrill, C. W. Jones, and M. Weck, Organomet. 24, 4351-4361 (2005) (Abstract)(doi: 10.1021/om048992v)

``On the Choice of Reference in Multi-reference Electronic Structure Theory Minimal References for Bond Breaking,'' J. S. Sears and C. D. Sherrill, Mol. Phys. 103, 803-814 (2005) (Abstract)(doi: 10.1080/00268970412331333023)

``A Spin-Complete Version of the Spin-Flip Approach to Bond Breaking: What Is the Impact of Obtaining Spin Eigenfunctions?,'' J. S. Sears, C. D. Sherrill, and A. I. Krylov, J. Chem. Phys. 118, 9084-9094 (2003) (PDF Full Text)(doi: 10.1063/1.1568735)