The Topology of the Magnetically Induced Ring Current of C13Cl 2
Chem. Sci., 2026, Accepted Manuscript DOI: 10.1039/D6SC03398A, Edge Article
Qian Wang, Rinat Nasibullin, Glib Baryshnikov, Sophia Burger , Jürgen Gauss, Rashid Valiev, Dage Sundholm We have performed density functional theory (DFT), second- order Møller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD), and complete-active-space self-consistent-field (CASSCF) calculations of the magnetically induced current density...