| Nanoaggregates of diverse asphaltenes by mass spectrometry and molecular dynamics W Wang, C Taylor, H Hu, KL Humphries, A Jaini, M Kitimet, T Scott, ... Energy & Fuels 31 (9), 9140-9151, 2017 | 77 | 2017 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 55 | 2023 |
| Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy … C Zhou, MR Hermes, D Wu, JJ Bao, R Pandharkar, DS King, D Zhang, ... Chemical Science 13 (26), 7685-7706, 2022 | 21 | 2022 |
| Analytic gradients for state-averaged multiconfiguration pair-density functional theory TR Scott, MR Hermes, AM Sand, MS Oakley, DG Truhlar, L Gagliardi The Journal of chemical physics 153 (1), 2020 | 17 | 2020 |
| The Role of Excited States of LNiII/III(Aryl)(Halide) Complexes in Ni–Halide Bond Homolysis in the Arylation of Csp3–H Bonds B Maity, TR Scott, GD Stroscio, L Gagliardi, L Cavallo ACS Catalysis 12 (21), 13215-13224, 2022 | 16 | 2022 |
| Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states TR Scott, MS Oakley, MR Hermes, AM Sand, R Lindh, DG Truhlar, ... The Journal of chemical physics 154 (7), 2021 | 10 | 2021 |
| A Multireference ab initio Study of the Diradical Isomers of pyrazine T Scott, R Nieman, A Luxon, B Zhang, H Lischka, L Gagliardi, CA Parish The Journal of Physical Chemistry A 123 (10), 2049-2057, 2019 | 10 | 2019 |
| Analytic gradients for compressed multistate pair-density functional theory JJ Bao, MR Hermes, TR Scott, AM Sand, R Lindh, L Gagliardi, DG Truhlar Molecular Physics 120 (19-20), e2110534, 2022 | 7 | 2022 |
| One-electron bonds in copper–aluminum and copper–gallium complexes BJ Graziano, TR Scott, MV Vollmer, MJ Dorantes, VG Young, E Bill, ... Chemical Science 13 (22), 6525-6531, 2022 | 7 | 2022 |
| Electron transitions in a Ce (III)-catecholate metal–organic framework JG Knapp, D Ray, PB Calio, MC Wasson, TR Scott, L Gagliardi, OK Farha Chemical Communications 58 (4), 525-528, 2022 | 4 | 2022 |
| An Extended Multireference Study of the Singlet and Triplet States of the 9, 10-didehydroanthracene Diradical H Hu, B Zhang, A Luxon, T Scott, B Wang, CA Parish The Journal of Physical Chemistry A 122 (14), 3688-3696, 2018 | 4 | 2018 |
| Exact conditions for ensemble density functional theory TR Scott, J Kozlowski, S Crisostomo, A Pribram-Jones, K Burke arXiv preprint arXiv:2307.00187, 2023 | 3 | 2023 |
| Intrastrand photolesion formation in thio-substituted DNA: A case study including single-reference and multireference methods E Vos, TR Scott, J González-Vázquez, I Corral, DG Truhlar, L Gagliardi The Journal of Physical Chemistry A 124 (50), 10422-10433, 2020 | 3 | 2020 |
| Application of multiconfiguration pair-density functional theory to the Diels–Alder reaction EC Mitchell, TR Scott, JJ Bao, DG Truhlar The Journal of Physical Chemistry A 126 (47), 8834-8843, 2022 | 2 | 2022 |
| Voices of Black Talent in Chemistry: Retention Strategies and Personal Success Stories T Scott, D Adderley, Y Ali, M Amanuel, A Blake, M Callender, C Carter, ... Journal of the American Chemical Society 145 (23), 12426-12428, 2023 | | 2023 |
| Multiconfiguration Pair-Density Functional Theory Developments and Applications to Photo-Chemically Relevant Excited States TR Scott The University of Chicago, 2022 | | 2022 |
| Multiconfiguration pair-density functional theory and its application to the Diels-Alder reaction E Mitchell, T Scott, JJ Bao, L Gagliardi, D Truhlar American Chemical Society SciMeetings 1 (1), 2020 | | 2020 |
