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Thesis topic proposal
 
Edit Mátyus
Computational study of spectroscopic and thermodynamic properties of molecular complexes

THESIS TOPIC PROPOSAL

Institute: Eötvös Loránd University, Budapest
chemistry
György Hevesy Doctoral School of Chemistry

Thesis supervisor: Edit Mátyus
Location of studies (in Hungarian): ELTE, Institute of Chemistry
Abbreviation of location of studies: ELTE


Description of the research topic:

Molecular complexes are the simplest chemical objects to study molecular interactions and to test the potential energy functions which describe these interactions by measuring and computing their high-resolution spectra. Our aim is to compute spectroscopic and thermodynamic properties of smaller complexes by means of variational and path-integral methods. This project requires further development of these methods, derivation of simple relationships using group theoretical considerations, development of analysis tools for floppy, delocalized systems, and performing large-scale computations.

Required language skills: English
Number of students who can be accepted: 2

Deadline for application: 2018-05-31


2024. IV. 17.
ODT ülés
Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).

 
All rights reserved © 2007, Hungarian Doctoral Council. Doctoral Council registration number at commissioner for data protection: 02003/0001. Program version: 2.2358 ( 2017. X. 31. )