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Density functional approximations for spin state energetics in transition-metal complexes
(Универзитет у Београду, Хемијски факултет, 2018)
Many fascinating features of coordination chemistry originate from the fact that small changes in metal ion environment can induce big changes in the properties of the compounds. Moreover, most transition-metal (TM) ions ...
Theoretical investigation of the Jahn-Teller effect and the influence of the Jahn-Teller distorton on the properties of chemical systems / Teorijsko proučavanje Jahn-Teller-ovog efekta i njegovog uticaja na osobine hemijskih sistema
(Универзитет у Београду, Хемијски факултет, 2015)
Quantum mechanical description of the changes in electronic structure due to distortions in molecular shape and vice versa is given in the form of the vibronic coupling theory. Probably, the most famous concept based on ...