| Analytical harmonic vibrational frequencies for the green fluorescent protein computed with ONIOM: chromophore mode character and its response to environment LM Thompson, A Lasoroski, PM Champion, JT Sage, MJ Frisch, ... Journal of chemical theory and computation 10 (2), 751-766, 2014 | 31 | 2014 |
| Modeling the Photoelectron Spectra of MoNbO2– Accounting for Spin Contamination in Density Functional Theory LM Thompson, HP Hratchian The Journal of Physical Chemistry A 119 (32), 8744-8751, 2015 | 25 | 2015 |
| Spin projection with double hybrid density functional theory LM Thompson, HP Hratchian The Journal of chemical physics 141 (3), 2014 | 22 | 2014 |
| Explaining the MoVO4− photoelectron spectrum: Rationalization of geometric and electronic structure LM Thompson, CC Jarrold, HP Hratchian The Journal of chemical physics 146 (10), 2017 | 20 | 2017 |
| Natural ionization orbitals for interpreting electron detachment processes LM Thompson, H Harb, HP Hratchian The Journal of Chemical Physics 144 (20), 2016 | 20 | 2016 |
| Effect of oriented external electric fields on the photo and thermal isomerization of azobenzene EM Kempfer-Robertson, LM Thompson The Journal of Physical Chemistry A 124 (18), 3520-3529, 2020 | 19 | 2020 |
| Second derivatives for approximate spin projection methods LM Thompson, HP Hratchian The Journal of chemical physics 142 (5), 2015 | 19 | 2015 |
| Non‐Covalent Substrate Directed Enantioselective Heck Desymmetrization of cis‐Cyclohex‐4‐ene‐1,2‐diol: Synthesis of all cis Chiral 5‐Aryl‐cyclohex‐3‐ene‐1,2 … RA Angnes, LM Thompson, MS Mashuta, CRD Correia, GB Hammond Advanced Synthesis & Catalysis 360 (19), 3760-3767, 2018 | 18 | 2018 |
| On approximate projection models LM Thompson, HP Hratchian Molecular Physics 117 (9-12), 1421-1429, 2019 | 17 | 2019 |
| Orbital optimization in nonorthogonal multiconfigurational self-consistent field applied to the study of conical intersections and avoided crossings AD Mahler, LM Thompson The Journal of Chemical Physics 154 (24), 2021 | 12 | 2021 |
| The role of substituents in retro Diels–Alder extrusion of CO2 from 2 (H)-pyrone cycloadducts MH Abdullahi, LM Thompson, MJ Bearpark, V Vinader, K Afarinkia Tetrahedron 72 (40), 6021-6024, 2016 | 12 | 2016 |
| Ultrafast vibrational dynamics of parallel excited state proton transfer reactions in the green fluorescent protein JJ van Thor, CN Lincoln, B Kellner, KN Bourdakos, LM Thompson, ... Vibrational Spectroscopy 62, 1-6, 2012 | 12 | 2012 |
| Global elucidation of broken symmetry solutions to the independent particle model through a Lie algebraic approach LM Thompson The Journal of Chemical Physics 149 (19), 2018 | 11 | 2018 |
| Deconstructing the ONIOM Hessian: investigating method combinations for transition structures T Vreven, LM Thompson, SM Larkin, I Kirker, MJ Bearpark Journal of Chemical Theory and Computation 8 (12), 4907-4914, 2012 | 11 | 2012 |
| Global elucidation of self-consistent field solution space using basin hopping X Dong, AD Mahler, EM Kempfer-Robertson, LM Thompson Journal of Chemical Theory and Computation 16 (9), 5635-5644, 2020 | 9 | 2020 |
| Assessing the calculation of exchange coupling constants and spin crossover gaps using the approximate projection model to improve density functional calculations X Sheng, LM Thompson, HP Hratchian Journal of Chemical Theory and Computation 16 (1), 154-163, 2019 | 8 | 2019 |
| Kinetics of phosphotungstic acid-catalyzed condensation of levulinic acid with phenol to diphenolic acid: Temperature-controlled regioselectivity MS Rahaman, S Tulaphol, MA Hossain, CN Evrard, LM Thompson, ... Molecular Catalysis 514, 111848, 2021 | 7 | 2021 |
| Difference projection-after-variation double-hybrid density functional theory applied to the calculation of vertical excitation energies EM Kempfer-Robertson, TD Pike, LM Thompson The Journal of Chemical Physics 153 (7), 2020 | 5 | 2020 |
| Oriented External Electric Field Tuning of Unsubstituted Azoheteroarene Thermal Isomerization Half-Lives I Avdic, EM Kempfer-Robertson, LM Thompson The Journal of Physical Chemistry A 125 (37), 8238-8248, 2021 | 4 | 2021 |
| Nonorthogonal active space decomposition of wave functions with multiple correlation mechanisms EM Kempfer-Robertson, AD Mahler, MN Haase, P Roe, LM Thompson The Journal of Physical Chemistry Letters 13 (51), 12041-12048, 2022 | 3 | 2022 |
