PUBLICATIONS

  1. Explaining the MoVO4− photoelectron spectrum: Rationalization of geometric and electronic structure. Thompson, L. M.; Jarrold, C. C.; Hratchian, H. P. J. Chem. Phys. 2017, 146 (10), 104301.

  2. The role of substituents in retro Diels-Alder extrusion of CO2 from 2(H)-pyrone cycloadducts Abdullahi, M. H.; Thompson, L. M.; Bearpark, M. J.; Vinader, V.; Afarinkia, K. Tetrahedron 2016, 72 (40), 1–4.

  3. Natural ionization orbitals for interpreting electron detachment processes Thompson, L. M.; Harb, H.; Hratchian, H. P. J. Chem. Phys. 2016, 144 (20), 204117–204118.

  4. Modeling the Photoelectron Spectra of MoNbO2(-) Accounting for Spin Contamination in Density Functional Theory. Thompson, L. M.; Hratchian, H. P. J. Phys. Chem. A 2015, 119 (32), 8744–8751.

  5. Second derivatives for approximate spin projection methods. Thompson, L. M.; Hratchian, H. P. J. Chem. Phys 2015, 142 (5), 054106.

  6. Spin projection with double hybrid density functional theory Thompson, L. M.; Hratchian, H. P. J. Chem. Phys. 2014, 141 (3), 034108.

  7. Analytical Harmonic Vibrational Frequencies for the Green Fluorescent Protein Computed with ONIOM: Chromophore Mode Character and Its Response to Environment Thompson, L. M.; Lasoroski, A.; Champion, P. M.; Sage, J. T.; Frisch, M. J.; van Thor, J. J.; Bearpark, M. J. J. Chem. Theory Comput. 2014, 10 (2), 751–766.

  8. Deconstructing the ONIOM Hessian: Investigating Method Combinations for Transition Structures Vreven, T.; Thompson, L. M.; Larkin, S. M.; Kirker, I.; Bearpark, M. J. J. Chem. Theory Comput. 2012, 8 (12), 4907–4914.

  9. Ultrafast vibrational dynamics of parallel excited state proton transfer reactions in the Green Fluorescent Protein Lincoln, C. N.; Bearpark, M. J.; van Thor, J. J.; Thompson, L. M.; Bourdakos, K. N.; Kellner, B.; Champion, P. M.; Sage, J. T. Vib. Spectrosc. 2012, 62, 1–6.