Duminda Ranasinghe

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2011-2015 Chemistry Wesleyan University, Middletown, CT, United States 
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"Duminda Ranasinghe"
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Publications

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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
Margraf JT, Ranasinghe DS, Bartlett RJ. (2017) Automatic generation of reaction energy databases from highly accurate atomization energy benchmark sets. Physical Chemistry Chemical Physics : Pccp
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