Oct 18, 2019   0:34 a.m. Lukáš
Academic information system

Summary of topics offered - Institute of Physical Chemistry and Chemical Physics (FCFT)


Basic information

Type of work: Bachelor thesis
Topic: Vlastnosti štvorcovo-planárnych komplexov 3d prvkov. Kam až siaha nebo a kde sa začína peklo?
Title of topic in English: Properties of square-planar complexes of 3d elements. How high is the sky and where does hell begin?
State of topic: approved (prof. Ing. Tibor Gracza, DrSc. - Study programme supervisor)
Thesis supervisor: doc. Ing. Lukáš Bučinský, PhD.
Faculty: Faculty of Chemical and Food Technology
Supervising department: Department of Chemical Physics - IPC FCFT
Max. no. of students: 1
Academic year:2018/2019
Proposed by: doc. Ing. Lukáš Bučinský, PhD.
Summary: Práca je zameraná na kvantovo-chemický popis elektrónovej štruktúry štvorcovo-planárnych komplexov 3d prvkov. Práca v sebe obnáša získať základný prehľad o metódach kvantovej mechaniky (QM), ako aj zvládnuť používanie vybraných štandardných QM balíkov a príkazového riadku v rámci operačného systému Linux. Použitá metodika siaha od štandardných DFT metód až po vysoko náročné prístupy typu CASSCF, NEVPT2 a DMRG.



Limitations of the topic

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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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