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Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn?Sham equation using several density functionals
Stereochemistry of the reaction products of the oxidative addition reaction of methyl iodide to [Rh((C4H3S)COCHCOR)(CO)(PPh3)]: A NMR and computational study. R = CF3, C6H5, C4H3S
Crystal and electronic structures of tris[4,4,4-Trifluoro-1-(2-X)-1,3-butanedionato]iron(III) isomers (X=thienyl or furyl): An X-ray and computational study
Immobilisation of iron tris(β-diketonates) on a two-dimensional flat amine functionalised silicon wafer: A catalytic study of the formation of urethane, from ethanol and a diisocyanate derivative
Calculated and experimental geometries and infrared spectra of metal tris-acetylacetonates: vibrational spectroscopy as a probe of molecular structure for ionic complexes. Part II
Mn(III)-tris(benzoylacetonate) complex exhibiting a static rotational disorder: synthesis, crystal structure, magnetic properties, and DFT computations
Chiral, Heterometallic Lanthanide–Transition Metal Complexes by Design
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