公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
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 | CHUN-CHUNG CHAN ; AuYeung, SCF | Theochem-Journal of Molecular Structure | | | |
1997 | Density functional study of Co-59 chemical shielding tensors using gauge-including atomic orbitals | CHUN-CHUNG CHAN ; AuYeung, SCF | 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 | CHUN-CHUNG CHAN ; Wilson, PJ; AuYeung, SCF; Webb, GA | 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 | CHUN-CHUNG CHAN ; AuYeung, SCF | 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; CHUN-CHUNG CHAN ; AUYEUNG, SCF; XU, X | Journal of Physical Chemistry | | | |
1996 | SOS-DFPT-IGLO calculations of Co-59 NMR shielding parameters of hexacoordinated diamagnetic Co(III) complexes | CHUN-CHUNG CHAN ; AuYeung, SCF; Wilson, PJ; Webb, GA | Theochem-Journal of Molecular Structure | | | |