Song MX, Zhao ZX, Zhang W, Bai FQ, Zhang HX, Sun CC (2012) A CASSCF/CASPT2 study on the low-lying electronic states of the CH 3 SS and its cation. Int J Quantum Chem 112:1537–1546Song MX, Zhao ZX, Zhang W, Bai FQ, Zhang HX, Sun CC (2012) A CASSCF/CASPT2 study on ...
A CASSCF/CASPT2 study on the low‐lying electronic states of the CH3SS and its cationCH3)2CHSCASSCFCASPT2excited statesThe multireference approach (CASSCF/CASPT2) combined with the contracted with atomic natural orbital (ANO-RCC-VTZP) basis set has been used to investigate systematically, ...