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Department of Theoretical Chemistry

 Department of Theoretical Chemistry    Department of Spectroscopy    Department of Biophysical Chemistry     Department of Structure and Dynamics in Catalysis     Department of Electrochemical Materials    Department of Electrochemistry at the Nanoscale    Department of Chemistry of Ions in Gaseous Phase    Department of Dynamics of Molecules and Clusters    Department of Low-dimensional Systems    Department of Molecular Electrochemistry and Catalysis  

About the Department

Management

Head of the Department



Deputy Head



Members:
BRABEC Jiří, Mgr., Ph.D.
ČÁRSKY Petr, prof. RNDr., DrSc.
CWIKLIK Lukasz, Dr. hab., Ph. D.
DELCROIX Pauline, Dr.
DEMEL Ondřej, Mgr., Ph. D.
FAAL RASTEGAR Seyyedeh Somayeh
HRUŠÁK Jan, RNDr., CSc.
KRUPIČKOVÁ PLUHAŘOVÁ Eva, Mgr.Ing., Ph.D.
MALDONADO DOMÍNGUEZ Carlos Mauricio, Ph.D.
PAIDAROVÁ Ivana, RNDr., CSc.
SKLENÁK Štěpán, RNDr., Ph. D.
SLAVÍČEK Petr, Mgr., Ph. D.
SOCHOROVÁ VOKÁČOVÁ Zuzana, RNDr., Ph.D.
SRNEC Martin, RNDr., Ph.D.
TARANA Michal, Ph. D.
VEIS Libor, RNDr., Ph.D.
ZAHRADNÍK Rudolf, prof. Ing., DrSc.

PGS student(s):
ANTALÍK Andrej, Mgr.
BRANDEJS Jan, Mgr.
HVIZDOŠ Dávid, Mgr.
LANG Jakub, Mgr.
MIRZA Wasif Baig
PEDERZOLI Marek, Mgr.
RIEDLOVÁ Kamila, Bc.
VIŠŇÁK Jakub, Ing.

DSC_0427-26-11-2015-w.jpg
Scientists and students of the Department... (XI/2015)

 

Research interests

  • Ab Initio Calculations

  • Ab Initio Quantum Chemical Investigation of Electric Field Gradients in Molecules

  • Application of QCH Methods and Programs for Calculations of PES

  • Electron-Molecule Interactions: Electron scattering and vibrational excitation

  • Molecular dynamics

  • Multireference coupled cluster methods

  • Theoretical study of electronic structure of solid surfaces, clusters and other nanostructures

  • Theory of Resonnances: Modeling Quantum Resonnances


Presentation video of the department (in Czech) - download.


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