ELFT HÍRADÓ

[Legeza Ors <legeza.ors AT wigner.mta.hu>]

MTA Wigner FK Erősen korrelált rendszerek "Lendület" kutatócsoport
rendkívüli szemináriuma

Prof. A. Daniel Boese

(Department of Chemistry, Physical and Theoretical Chemistry, University
of Graz, vendéglátó: Legeza Örs)

"Intermolecular Interactions: Surfaces, Molecules and Molecular Crystals"

Időpont: 2016. június 13. (hétfő) 14:00 (1 óra)
Hely: MTA Wigner FK SZFI, I. épület 1. emeleti Tanácsterem


Összefoglaló:
In the last century, the nature of strong interactions between atoms,
which are responsible for chemical bonding, were in the focus of
research. In modern quantum chemistry, such strong interactions are
nowadays well understood. However, in recent years the description of
weak interactions between atoms and molecules still remains mostly
unsolved and attracted considerable attention.
The newly emerging technologies like nanotechnology, biotechnology and
supramolecular chemistry urgently need a thorough understanding and
accurate description of weak intra- and intermolecular interactions.
Theoretical chemistry has contributed essentially to the desired
knowledge in recent years, as demonstrated by the rapidly increasing
number of papers in computational chemistry on this topic.
Various methods for computations are available, whereas the development,
assessment and combinations of these methods are in the focus of this
presentation. The computational applications are manifold, as they range
from the intermolecular interactions between molecules to the molecular
arrangements on surfaces and in molecular crystals.


Részletes információ: http://www.szfki.hu/seminar
Minden érdeklődőt szívesen látunk!