International Conference of Computational Methods
in Sciences and Engineering 2003 (ICCMSE 2003)
Kastoria, Greece 12-16 September 2003

MiniSymposium

Title: Computational methods for the Molecular Sciences

Organiser: Professor George Maroulis, Department of Chemistry, University of Patras, Patras, Greece

Participants (Until now)

H.Ågren, Royal Institute of Technology, Stockholm, Sweden
Quantum computations of properties of molecules and materials

N.Bacalis, National Hellenic Research Foundation, Athens, Greece
Generalization of Laguerre orbitals toward an accurate, concise and practical analytic atomic wave function.

S.Farantos, Department of Chemistry, University of Crete, Heraklion, Crete Exploring Elementary Chemical Processes by Bifurcation Diagrams of Periodic Orbits

A.Haskopoulos, Department of Chemistry, University of Patras, Patras, Greece
Interrmolecular interactions of (H2O)2.

U.Hohm, Institute of Physical and Theoretical Chemistry, Technical University of Braunschweig, Braunschweig, Germany
Accurate thermophysical properties of neat globular gases and their binary mixtures determined by means of an isotropic temperature-dependent potential.

P.Karamanis, Department of Chemistry, University of Patras, Patras, Greece
Electric properties of substituted diacetylenes.

G.Maroulis, Department of Chemistry, University of Patras, Patras, Greece
Electric hyperpolarizability calculations.

B.Minaev, Cherkassy Engineering and Technological Institute, Cherkassy, Ukraine
Computations of spin selective processes in biochemistry.

A.Mylona-Kosmas, Department of Chemistry, University of Ioaninna, Ioannina, Greece
Structural and relative stability studies of isomeric and conformeric structures of XOOY peroxides, X=H, CH3, Cl, Br, I, Y=Cl, Br.

A.Rizzo, Istituto per i Processi Chimico-Fisici (IPCF), Consiglio Nazionale delle Ricerche (CNR), Pisa, Italia
Birefringences: a challenge for both theory and experiment.