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Publikováno v:
Polyhedron. 194:114941
Best molecular geometries of copper(I) cations [Cu(MePz)2]+ and [Cu(MeIm)2]+ (MePz: 1-methyl pyrazole; MeIm: 1-methyl imidazole) are determined by density functional calculations (BP86/TZVP). Optimizations have been carried out for isolated cationic