Publications of Reza Ghafarian Shirazi

Ghafarian Shirazi, R.; Pantazis, D. A.; Neese, F.: Performance of density functional theory and orbital-optimised second-order perturbation theory methods for geometries and singlet–triplet state splittings of aryl-carbenes. Molecular Physics 118 (21-22), e1764644 (2020)

Ghafarian Shirazi, R.; Neese, F.; Pantazis, D. A.; Bistoni, G.: Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study. The Journal of Physical Chemistry A 123 (24), pp. 5081 - 5090 (2019)

Ghafarian Shirazi, R.; Neese, F.; Pantazis, D. A.: Accurate Spin-State Energetics for Aryl Carbenes. Journal of Chemical Theory and Computation 14 (9), pp. 4733 - 4746 (2018)

Ghafarian Shirazi, R.: Spin-state energetics of carbenes studied by modern coupled cluster methods. Dissertation, 227 pp., Ruhr-Universität Bochum, Bochum (2019)