Krzysztof Kurzak

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The central V(V) atom in the title mononuclear oxovanadium complex, [VO(C(23)H(20)N(2)O(4))(CH(3)OH)]·H(2)O, has a distorted octahedral coordination. Two N atoms and two O atoms of the Schiff base define the base of the bipyramid and two O atoms are in the apical positions, one from vanadyl and the second from methanol. Density functional theory (DFT)(More)
The green crystals of the title compound, [V(C(22)H(18)N(2)O(2))O], represent a mononuclear oxovanadium complex. The central V(IV) centre has a distorted square-pyramidal coordination. Two N atoms and two O atoms of the Schiff base ligand define the base of the pyramid, and the oxide O atom is in the apical position. Density functional theory (DFT)(More)
A modular and efficient version of PC program for calculating ligand-field parameters, i.e. crystal-field model (CFM) and angular overlap model (AOM) is presented. The LFP program is designed to calculate the ligand-field parameters of low symmetry transition metal complexes. It is based on the general method for the analysis of central ion states(More)
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