Oct 21, 2019   10:43 a.m. Uršuľa
Academic information system

Summary of topics offered - Department of Inorganic Chemistry (IICTM FCFT)


Basic information

Type of work: Bachelor thesis
Topic: Počítačová interpretácia magnetizmu komplexov prechodných prvkov
Title of topic in English: Computational Interpretation of Magnetism of Transition Metal Complexes
State of topic: approved (prof. Ing. Tibor Gracza, DrSc. - Study programme supervisor)
Thesis supervisor: Ing. Ján Pavlik, PhD.
Faculty: Faculty of Chemical and Food Technology
Supervising department: Department of Inorganic Chemistry - IICTM FCFT
Max. no. of students: 1
Academic year:2018/2019
Proposed by: Ing. Ján Pavlik, PhD.
Summary: In this bachelor project the magnetic parameters of transition metal complexes ( above all the parameters of spin crssover) will be calculated using the DFT approach. The student will gain knowledge on work with state-of-the-art quantum-chemistry software.



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Restrictions by study
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Programme
B-CHEMATxA Chemistry, Medical Chemistry and Chemical Materials

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