Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals. - Suranjan Shil; Carmen Herrmann (J. Comput. Chem., 2018)

Assessment of DFT Functionals for Predicting the Magnetic Exchange Coupling Constants of Nonalternant Hydrocarbon Diradicals: The Role of Hartree-Fock Exchange. - Suranjan Shil (J. Comput. Chem., 2025)