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Lori Burns
Group Position: Research Scientist
 
Educational Background
  • Ph.D. in Chemistry, Yale University
  • B.S. in Chemistry, Rice University
Awards

     NSF Graduate Fellow

 
Representative Publications

``Co(III) Complexes of Tetradentate X3L Type Ligands: Synthesis, Electronic Structure, and Reactivity,'' Y. Feng, L. A. Burns, L. Lee, C. D. Sherrill, C. W. Jones, and C. Murdock, Inorg. Chim. Acta 430, 30-35 (2015) (doi: 10.1016/j.ica.2015.01.036)

``Counterion and Substrate Effects On Barrier Heights of the Hydrolytic Kinetic Resolution of Terminal Epoxides Catalyzed by Co(III)-salen,'' M. R. Kennedy, L. A. Burns, and C. D. Sherrill, J. Phys. Chem. A 119, 403-409 (2015) (doi: 10.1021/jp511261z)

``Appointing Silver and Bronze Standards for Noncovalent Interactions: A Comparison of Spin-Component-Scaled (SCS), Explicitly Correlated (F12), and Specialized Wavefunction Approaches,'' L. A. Burns, M. S. Marshall, and C. D. Sherrill, J. Chem. Phys. 141, 234111 (2014) (doi: 10.1063/1.4903765)

``Levels of Symmetry Adapted Perturbation Theory (SAPT). I. Efficiency and Performance for Interaction Energies,'' T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014) (doi: 10.1063/1.4867135)

``Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions,'' L. A. Burns, M. S. Marshall, and C. D. Sherrill, J. Chem. Theory Comput. 10, 49-57 (2014) (doi: 10.1021/ct400149j)

``Redox-Linked Conformational Control of Proton-Coupled Electron Transfer: Y122 in the Ribonucleotide Reductase β2 Subunit,'' A. R. Offenbacher, L. A. Burns, C. D. Sherrill, and B. A. Barry, J. Phys. Chem. B 117, 8457-8468 (2013) (doi: 10.1021/jp404757r)

``Buckyplates and Buckybowls: Examining the Effects of Curvature On π-π Interactions,'' M. R. Kennedy, L. A. Burns, and C. D. Sherrill, J. Phys. Chem. A 116, 11920-11926 (2012) (doi: 10.1021/jp305700k)

``PSI4: An Open-Source Ab Initio Electronic Structure Program,'' J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein, F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke, M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl, W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill, and T. D. Crawford, WIREs Comput. Mol. Sci. 2, 556-565 (2012) (doi: 10.1002/wcms.93)

``Basis Set Convergence of the Coupled-cluster Correction, δCCSD(T)MP2: Best Practices for Benchmarking Non-covalent Interactions and the Attendant Revision of the S22, NBC10, HBC6, and HSG Databases,'' M. S. Marshall, L. A. Burns, and C. D. Sherrill, J. Chem. Phys. 135, 194102 (2011) (doi: 10.1063/1.3659142)

``Density-Functional Approaches to Noncovalent Interactions: A Comparison of Dispersion Corrections (DFT-D), Exchange-Hole Dipole Moment (XDM) Theory, and Specialized Functionals,'' L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011) (doi: 10.1063/1.3545971)

``Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions,'' K. S. Thanthiriwatte, E. G. Hohenstein, L. A. Burns, and C. D. Sherrill, J. Chem. Theory Comput. 7, 88-96 (2011) (doi: 10.1021/ct100469b)

``An Error and Efficiency Analysis of Approximations to Møller-Plesset Perturbation Theory,'' M. S. Marshall, J. S. Sears, L. A. Burns, J. L. Brédas, and C. D. Sherrill, J. Chem. Theory Comput. 6, 3681-3687 (2010) (doi: 10.1021/ct100468f)


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