Issue Date | Title | Author(s) | Source | scopus | WOS | Fulltext/Archive link |
1997 | A comparative study of the calculation of Co-59 NMR shielding constants of hexacoordinated diamagnetic Co(III) complexes using DFT-IGLO and DFT-GIAO methods | Chan, JCC; AuYeung, SCF; CHUN-CHUNG CHAN | Theochem-Journal of Molecular Structure | | | |
1997 | Density functional study of Co-59 chemical shielding tensors using gauge-including atomic orbitals | Chan, JCC; AuYeung, SCF; CHUN-CHUNG CHAN | Journal of Physical Chemistry A | | | |
1997 | Density functional study of the electronic structures of [Co(NH3)(5)X]((3+n)+) complexes. Insight into the role of the 3d and 4s orbitals in metal-ligand interactions | Chan, JCC; Wilson, PJ; AuYeung, SCF; Webb, GA; CHUN-CHUNG CHAN | Journal of Physical Chemistry A | | | |
1996 | Interpretation of Co-59 NMR shielding using the hard and soft acid-base concept - Insight into the relative magnitude of the nephelauxetic and the spectrochemical effect | Chan, JCC; AuYeung, SCF; CHUN-CHUNG CHAN | Journal of the Chemical Society-Faraday Transactions | | | |
1993 | POLYCRYSTALLINE CO-59 NMR-STUDIES OF METAL-LIGAND INTERACTION IN AXIALLY-SYMMETRICAL DIAMAGNETIC CO(III) COMPLEXES - CORRELATION OF DELTA(CO-59) WITH NQCC DELTA-E(AV) | CHUNG, SC; CHAN, JCC; AUYEUNG, SCF; XU, X; CHUN-CHUNG CHAN | Journal of Physical Chemistry | | | |
1996 | SOS-DFPT-IGLO calculations of Co-59 NMR shielding parameters of hexacoordinated diamagnetic Co(III) complexes | Chan, JCC; AuYeung, SCF; Wilson, PJ; Webb, GA; CHUN-CHUNG CHAN | Theochem-Journal of Molecular Structure | | | |