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Journal of the American Chemical Society|March 26, 2025
Quantum Coulombic Interactions Mediate Free Radical Control in Radical SAM Viperin/RSAD2M Hossein Khalilian, Gino A DiLabioChemical Science|August 2, 2024
Non-Aufbau electronic structure in radical enzymes and control of the highly reactive intermediatesM Hossein Khalilian, Gino A DiLabioJournal of Molecular Modeling|October 27, 2016
The simulation of UV spectroscopy and electronic analysis of temozolomide and dacarbazine chemical decomposition to their metabolitesM Hossein Khalilian, Saber Mirzaei, Avat Arman TaherpourScientific Data|November 24, 2021
BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bondsViki Kumar Prasad, M Hossein Khalilian, Alberto Otero-de-la-Roza, et al.Pageof 1