Speaker
Dr
Attila Bende
(National Institute for R&D of Isotopic and Molecular Technologies)
Description
Different self-assembled molecular clusters grown around H+ and Na+ ion kernels have been investigated using density functional theory method considering advanced exchange-correlation DFT functionals. Supramolecular structures of high-order molecular associations observed in different mass spectra and their formation dynamics were explained with the help of HPC technique. The presence of new and unusual weak intermolecular forces which keep together these supramolecular assemblies were observed and characterized in more details using molecular modeling methods.
Primary author
Dr
Attila Bende
(National Institute for R&D of Isotopic and Molecular Technologies)
Co-authors
Mrs
Codruta Varodi
(National Institute for R&D of Isotopic and Molecular Technologies)
Dr
Tonia M. Di Palma
(Istituto Motori - CNR, Napoli, Italy)
