Publikationen von Reza Ghafarian Shirazi
Alle Typen
Zeitschriftenartikel (3)
2020
Zeitschriftenartikel
118 (21-22), e1764644 (2020)
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 2019
Zeitschriftenartikel
123 (24), S. 5081 - 5090 (2019)
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 2018
Zeitschriftenartikel
14 (9), S. 4733 - 4746 (2018)
Accurate Spin-State Energetics for Aryl Carbenes. Journal of Chemical Theory and Computation Hochschulschrift - Doktorarbeit (1)
2019
Hochschulschrift - Doktorarbeit
Spin-state energetics of carbenes studied by modern coupled cluster methods. Dissertation, 227 S., Ruhr-Universität Bochum, Bochum (2019)