Sep 22, 2019   1:28 a.m. Móric
Academic information system

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


Basic information

Type of work: Dissertation thesis
Topic: Teoretické štúdium energetiky a štruktúry vybraných modelových a prírodných látok
Title of topic in English: Theoretical study of energetics and structure of selected model and natural compunds
State of topic: approved (prof. Ing. Anton Gatial, DrSc., prof. Ing. Vladimír Lukeš, DrSc. - Chairperson of Departmental Board)
Thesis supervisor: prof. Ing. Vladimír Lukeš, DrSc.
Faculty: Faculty of Chemical and Food Technology
Supervising department: Department of Chemical Physics - IPC FCFT
Max. no. of students: 2
Academic year:2019/2020
Proposed by: prof. Ing. Vladimír Lukeš, DrSc.
Annotation: Štúdium modelových alebo prírodných molekúl s potenciálnymi antioxidačnými a/alebo liečivými účinkami. Kvantovochemické výpočty budú realizované na rôznych úrovniach, t.j. ab initio a teórie funkcionálu elektrónovej hustoty. Na základe vyhodnotenia teoretických výsledkov sa budú hľadať trendy, ktoré umožnia pochopiť vzťahy medzi štruktúrou a reaktivitou.
Annotation in English: Study of model and natural molecules with potential antioxidant and/or drug effects. The quantum chemical calculations will be performed at the different theoretical levels, , e.g. ab initio and Density Functional Theory (DFT). Based on these studies, the prediction and interpretation of the experiments will be performed.
Further information: Druhý školiteľ: Doc. Ing. Erik Klein, PhD.



Limitations of the topic

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

Limit to study programme
The table shows limitations of study programme, field, track the student has to be enrolled in to be able to register for a given topic.

ProgrammeTrackTrack
D-CHF Chemical Physics-- not entered -- -- not entered --
D-TPTC Theoretical and Computational Chemistry-- not entered -- -- not entered --