We study structural and dynamical properties of biomolecules using hybrid quantum-classical simulations
Re-examining Cannabidiol: Conversion to Tetrahydrocannabinol Using Only Heat
Daniels, R.; Yassin, O. A; Toribio, J. M.; Gascón, J. A.; Sotzing, G. Cannabis and Cannabinoid Research (2022) ASAP.
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Syntheses and Aromaticity Parameters of Hexahydroxypyrrocorphin, Porphotrilactones, and Their Oxidation State Intermediates
Nisansala, H.; Guberman-Pfeffer, M. J.; Chaudhri, N.; Zeller, M.; Gascón, J. A.; Brückner, C. J. Org. Chem. (2022) 87, 12096-12108.
[DOI]
Microsolvation Effects in the Spectral Tuning of Heliorhodopsin
Wijesiri, K.; Gascón, J. A. J. Phys. Chem (2022) 126, 5803-5809.
[DOI]
Electronic energy levels of porphyrins are influenced by the local chemical environment
Wolf, M.; Ortiz-Garcia, J.J.; MJ Guberman-Pfeffer; Gascón, J. A.; Quardokus, R. C RSC Advances (2022) 12, 1361-1365.
[DOI]
