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Abbreviation : PK
Long Form : Pederson-Khanna
No. Year Title Co-occurring Abbreviation
2017 Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo). NOB-PK, ORPT, SOR, UOR, ZFS
2016 Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting Tensors. DFT, NOB-PK, QRO
2014 An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin-orbit contributions are affected. SO
2008 A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds. DFT, QRO, SOC, SS, ZFSs