Results for COUPLED CASPT2 CALCULATIONS

Publications & Outputs

f-Orbital covalency in the actinocenes (An = Th-Cm): multiconfigurational studies and topological analysis
Kerridge, A., 2014, In: RSC Advances. 4, 24, p. 12078-12086 9 p.
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study
Kerridge, A., 14/12/2013, In: Dalton Transactions. 42, 46, p. 16428-16436 9 p.
Research output: Contribution to Journal/Magazine › Journal article › peer-review
A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency
Kerridge, A., 14/02/2013, In: Physical Chemistry Chemical Physics. 15, 6, p. 2197-2209 13 p.
Research output: Contribution to Journal/Magazine › Journal article › peer-review