Dec 9, 2019   4:51 p.m. Izabela
Academic information system

Summary of topics offered - Faculty of Chemical and Food Technology


Basic information

Type of work: Bachelor thesis
Topic: Predikcia spinového prechodu v sérii železnatých komplexov
Title of topic in English: Prediction of Spin Crossover in a Series of Ferrous 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: 2
Academic year:2019/2020
Proposed by: Ing. Ján Pavlik, PhD.
Summary: V bakalárskej práci sa budú pomocou metódy DFT počítať energie spinových stavov série železnatých komplexov syntetizovaných na našom pracovisku, od ktorých sa očakáva schopnosť vykazovať jav spinového prechodu. Študent si počas bakalárskeho projektu osvojí základy práce so súčasným kvantovochemickým softvérom, predovšetkým programom ORCA.



Limitations of the topic

To sign up for a topic it is necessary to fulfil one of the following restrictions

Restrictions by study
The table shows restrictions by study to which the student has to be enrolled in order to sign up for the given topic.

Programme
B-CHEMAT Chemistry, Medical Chemistry and Chemical Materials

Limit to courses
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DepartmentCourse title
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