- January 19, 2015
A new retention mechanism for an SN2 reaction
Gábor Czakó and István Szabó discovered a new double-inversion mechanism for the F- + CH3Cl SN2 reaction. The theoretical results were published in Nature Communications, one of the best multi-disciplinal scientific journals. The Walden inversion in a bimolecular nucleophilic substitution (SN2) is one of the best-known stereo-specific reaction mechanisms in organic chemistry. The accurate reaction dynamics simulations revealed a novel reaction path for the F- + CH3Cl SN2 reaction, in which a proton-abstraction-induced inversion is followed by a second inversion, thereby resulting in retention of configuration.
- November 14, 2014
Molecules in Motion
The COST action MOLIM (Molecules in Motion), proposed by Attila G. Császár, has been approved for funding for the next four years. MOLIM, a multifaceted, multilinked, highly interdisciplinary COST Action will provide leadership for the development of computational tools for molecular sciences including determination of properties of complex non- and quasi-periodic systems, for the coupling of electronic and nuclear motions, for the application of the new tools to experimental problems of an outstanding nature, and it will become the ground for the emergence of the next generation of chemists...
- October 1, 2014
Nóra Dénes won the Scholarship of the Republic of Hungary
Nóra Dénes receives the Scholarship of the Republic of Hungary. The certification of the scholarship will be handed over by the Dean of the Faculty of Science on October 9, 2014.
- August 25, 2014
New Member of the Laboratory, Eszter Czinki
On August 25, 2014, Dr. Eszter Czinki, an ELTE graduate who received her PhD under the guidance of Attila Csaszar, joined our Laboratory as a Research Fellow. Eszter´s research tasks include the development of the program system Spectropedia and the information system Respecth. Welcome and best wishes to your new assignment, Eszter.
- August 25, 2014
Tamás Szidarovszky won the JSPS Postdoctoral Fellowship
Tamás Szidarovszky has received the prestigious JSPS (Japanese Society for the Promotion of Science) Postdoctoral Fellowship for his application titled "Dynamics of H2 in a molecular complex in intense laser fields". The research project is hosted by Professor Kaoru Yamanouchi from The University of Tokyo.