Duminda Ranasinghe
Affiliations: | 2011-2015 | Chemistry | Wesleyan University, Middletown, CT, United States |
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Parents
Sign in to add mentor| George A. Petersson | grad student | 2011-2015 | Wesleyan |
| Rodney J. Bartlett | post-doc | 2015-2018 | UF Gainesville |
| William H. Green | post-doc | 2018-2020 | MIT |
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Publications
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| Wu H, Payne AM, Pang HW, et al. (2024) Toward Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions. The Journal of Physical Chemistry. A |
| Wu H, Grinberg Dana A, Ranasinghe DS, et al. (2022) Kinetic Modeling of API Oxidation: (2) Imipramine Stress Testing. Molecular Pharmaceutics |
| Grinberg Dana A, Wu H, Ranasinghe DS, et al. (2021) Kinetic Modeling of API Oxidation: (1) The AIBN/HO/CHOH Radical "Soup". Molecular Pharmaceutics |
| Guan Y, Coley CW, Wu H, et al. (2020) Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors. Chemical Science. 12: 2198-2208 |
| Bartlett RJ, Park YC, Bauman NP, et al. (2020) Index of multi-determinantal and multi-reference character in coupled-cluster theory. The Journal of Chemical Physics. 153: 234103 |
| Dong X, Ninnemann E, Ranasinghe DS, et al. (2020) Revealing the critical role of radical-involved pathways in high temperature cyclopentanone pyrolysis Combustion and Flame. 216: 280-292 |
| Ranasinghe DS, Margraf JT, Perera A, et al. (2019) Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals. The Journal of Chemical Physics. 150: 074108 |
| Lutz JJ, Duan XF, Ranasinghe DS, et al. (2018) Valence and charge-transfer optical properties for some SiC (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy. The Journal of Chemical Physics. 148: 174309 |
| Craig SM, Johnson CJ, Ranasinghe DS, et al. (2018) Vibrational Characterization of Radical Ion Adducts Between Imidazole and CO. The Journal of Physical Chemistry. A |
| Ranasinghe DS, Perera A, Bartlett RJ. (2017) A note on the accuracy of KS-DFT densities. The Journal of Chemical Physics. 147: 204103 |