1st Symposium on Weak Molecular Interactions - March 5-6, 2013 - Pcs, Hungary
Wednesday, 22 May 2024

The program can be downloaded : Final_Program.pdf.


4. March 2013.

16:00- Registration

19:00 Welcome Party

5. March 2013.

09:00 - 09:20 Opening Prologue

09:20 – 09:30 Technical Break

1st Session: Weak Molecular Interactions: Examples in General View

Session Chair: Walter M.F. Fabian

09:30 – 10:15 Takayuki Ebata (Hiroshima University, Japan)

Structure and photo-physics of host-guest complexes and bio-related molecules in the gas phase

10:15 – 10:30 Coffee Break

10:30 – 11:15 Barbara Kirchner (University of Bonn, Germany)

Associated liquids from unconventional methods: Quantum cluster theory

and floating orbital molecular dynamics

11:15 – 11:45 Miklós Kubinyi (Research Centre of Natural Sciences,

Hungarian Academy of Sciences, Hungary)

Synthetic fluorescent sensors for recognition of nucleotides

11:45 – 13:15 Lunch

2nd Session: Raman as Fruitful Tool in Research of Weak Molecular Interactions

Session Chairs: Ruth Geiger and Takayuki Ebata

13:15 – 13:30 Ruth Geiger (HORIBA Jobin Yvon, France)

Evolution of Raman Instrumentation Driven by Available Technologies

13:30 – 14:15 Tatsuyuki Yamamoto (Shimane University, Japan)

The application of Raman spectroscopy on the biological tissues and

living cells

14:15 – 14:35 Konstantinos Andrikopoulos (Foundation for Research and Technology-Hellas, Greece)

Influence of silver nano-particles agglomeration kinetics

on the Surface enhanced Raman signal

14:35 – 14:50 Coffee Break

14:50 – 15:35 Sophie Lecomte (CNRS-University of Bordeaux, France)

Surface Enhanced Raman Scattering in Microfluidics Devices to detect


15:35 – 15:45 Romain Bruder (HORIBA Jobin Yvon, France)

From fundamental studies to probing approaches:

Raman spectroscopy to investigate and detect weak molecular interactions

15:45 – 16:00 Peter Vernhout (AIST Nano Technologies International, Netherlands)

Atomic Force Microscopy, Technologies and Products

16:00 – 16:45 Poster Session

3rd Session: Pécs: Science – Culture – History

Session Chair: László Kollár and Sándor Kunsági-Máté

16:45 – 17:15 Transfer to the Szentágothai Research Center

17:15 – 17:35 Zsuzsanna Helyes (scientific secretary, Szentágothai Research Center)

Scientific portfolio of the Szentágothai Research Center

17:35 – 17:45 The structure of the building of the Research Center (film)

17:45 – 18:00 Sparks: Hungarian Creativity and Innovation (film)

18:00 – 18:30 Transfer to the City Center, walk to the Mayor’s Office of Pécs

18:30 – 19:00 Mayor’s salutation

Presentation about the History of Pécs

19:00 – 22:00 Conference Dinner

6. March 2013.

4th Session: Theoretical Investigations of Weak Molecular Interactions

Session Chair: Barbara Kirchner

09:00 – 09:45 Walter M.F. Fabian (Karl Franzens Universität, Austria)

Noncovalent interactions: wave function vs. density functional based methods

09:45 – 10:05 Joachim Friedrich (Technical University Chemnitz, Germany)

Highly Accurate Electronic Structure Methods for Weak Interactions

10:05 – 10:25 Tobias Risthaus (University of Bonn, Germany)

Comparison of DFT-based Treatments of Dispersion Interactions

in Supramolecular Complexes

10:25 – 10:40 Coffee Break

10:40 – 11:25 Anne-Marie Kelterer (Graz University of Technology, Austria)

Weak interactions in the excited state

11:25 – 11:45 Oldamur Hollóczki (University of Bonn, Germany)

Carbon Dioxide in Ionic Liquids: Solvation, Ionic Liquid Effect,

Carbene Formation 

11:45 – 12:05 Gergely Matisz (University of Pécs, Hungary)

Structure of Neat and Binary Hydrogen-bonded Liquids of

Primary Alcohols within the Quantum Cluster Equilibrium Theory

12:05 – 12:25 János Ángyán (Université de Lorraine & CNRS, France)

Range-separated hybrid density functional methods with many-body

corrections for modelling intermolecular interactions 

12:25 – 13:20 Lunch

5th Session: Weak Molecular Interactions in Biology

Session Chairs: Anne-Marie Kelterer and Sophie Lecomte

13:20 – 13:40 Radu Silaghi-Dumitrescu (Babes-Bolyai University, Romania)

Weak interactions dictating secondary and tertiary structure in proteins

13:40 – 14:00 Zsolt Valicsek (Pannon University, Hungary)

Possibility and applicability of aggregation of porphyrins

14:00 – 14:20 Miklós Poór (University of Pécs, Hungary)

Interaction of Ochratoxin A with alkaline earth ions

14:20 – 14:40 Koichi Iwata (Gakushuin University, Japan)

Examination of Solution Phase Partial Orders Formed

with Weak Molecular Interactions. Time-resolved Spectroscopic Studies

14:40 – 14:50 Closing Remarks

15:00 – 18:00 Guided Tour in Pécs

18:00 – 19:30 Dinner

20:00 – 21:00 Concert in the Basilica of Pécs


Registration will be held in the

Centre of the Regional Committee of Hungarian Academy of Sciences

(Jurisics Miklós str. 44., H-7624 Pécs, Hungary, Coordinates: N:46.082765, E:18.210260)

Oral presentations will be held in the

2nd floor, Lecture Hall of the Centre of the Regional Committee of Hungarian Academy of Sciences

Lunches and the Welcome Party will be held in the

3rd floor, Dining Rooms of the Centre of the Regional Committee of Hungarian Academy of Sciences