Publikationen von Reza Ghafarian Shirazi

Zeitschriftenartikel (3)

2020
Zeitschriftenartikel
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 2020, 118.
2019
Zeitschriftenartikel
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 2019, 123, 5081–5090.
2018
Zeitschriftenartikel
Ghafarian Shirazi, R.; Neese, F.; Pantazis, D. A. Accurate Spin-State Energetics for Aryl Carbenes. Journal of Chemical Theory and Computation 2018, 14, 4733–4746.

Hochschulschrift - Doktorarbeit (1)

2019
Hochschulschrift - Doktorarbeit
Ghafarian Shirazi, R. Spin-state energetics of carbenes studied by modern coupled cluster methods. Doktorarbeit, Ruhr-Universität, Bochum, 2019.
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