Lectures / Seminars

    Prof. Thomas D. Anthopoulos 

    Department of Physics and Centre for Plastic Electronics, Imperial College London, Blackett Laboratory, London, UK

    in a lecture entitled:

    "New materials and fabrication paradigms for plastic electronics"

    Department of Advanced Materials auditorium (Building #8),

    Wednesday 20th of November 2013 at 11.a.m.


    Professor Rebecca Deprez - Poulain Pr PhD MRSC


    INSERM U761 Biostructures And Drug Discovery


    Universite De Lille 2 - Pasteur Institute Lille


    “Hydroxamates as tools for the target validation of metalloproteases:

    Applications To malarial PfAM1 And human Insulin-Degrading Enzyme”


    Wednesday 30rd of October at 12:00 pm,


    IPC auditorium


    The lecture is organized by the Institute of Nuclear & Radiological Sciences & Technology, Energy & Safety (I.N.RA.S.T.E.S.) and Dr. E. Stratikos


    29/07/2013 Opening For a PhD studentship (Greek Version)



    17/01/2014 Opening For an Experienced Researcher/Fellow for MARIE CURIE SANAD project

    29/07/2013 Opening For a PhD studentship (Greek Version)

    15/07/2012 Opening For a PhD studentship

    15/07/2012 Opening For Post Doctoral Position

    06/06/2012 Opening For Synthetic Chemistry Post Doctoral Associate

    06/06/2012 Opening For Post Doctoral Associate on Carbon Nanomaterials

    06/06/2012 Opening For Synthetic Chemistry PhD Studentship


    Intenational Workshop | 31 October - 3 November 2011
    Macromolecular crystal growth and optimisation methods

    Workshop Program



    Photochemistry and Applications in Photoactivable Anticancer Drugs

    Bologna, September 26 – 28, 2011



    October 11 of 2010 :

    The Institute of Physical Chemistry actively participates in the establishment of the European Photocatalysis Federation and the coordination of the corresponding research activities in Greece.



    The 6th Summer School on Methods in Micro-Nanotechnology and Nanobiotechnology will be held in Athens, Greece September 13 - 17, 2010.  

    The Summer School is co-organized by the Institutes of Physical Chemistry, Microelectronics,  Radioisotopes & Radiodiagnostic Products and Materials Science,  NCSR Demokritos, in collaboration with the Foundation for Biomedical Research of the Academy of Athens.

    The Summer School  is co-sponsored by the project, Marie Curie ITN CYCLON  ( )  coordinated by the  Institute of Physical Chemistry.

    Special Events


    Institute of Physical Chemistry

    Institute of Physical Chemistry

    Molecular Computational Chemistry

    The Group - Our Research

    Research Activities

    Experimental Determination of the Kinetics and Mechanism of Chemical Reactions in the Atmosphere


    The growing problem of environmental quality deterioration due to the release of substances capable of inducing changes in the composition of atmosphere constitutes one of the hottest issues worldwide. The laboratory is participating in global efforts pointing towards the assessment of the problem by carrying out a study of the tropospheric degradation of chemical compounds initiated by the so-called "atmospheric detergents" (OH and Cl). The kinetics and the mechanism of chlorine atom reactions with halogen-, sulfur- and nitrogen- containing compounds, related with environmental problems, are studied by the very low pressure reactor (VLPR) technique, in collaboration with the Laboratory of Chemical Kinetics at the Department of Chemistry in the University of Crete. Earlier studies were focused on brominated and iodinated compounds, and the clarification of the effects of the halogen-atom adducts formation in the overall reaction mechanism. Recent studies involve the reaction mechanism and kinetics of Cl atoms with fluorinated ethers and alcohols as well as fluorinated alkenes, which are proposed as possible alternatives of chlorofluorocarbons (CFC), since the latter are very well known to be potentially harmful to stratospheric ozone and contribute significantly to the global warming.



    Development of Theoretical Model Chemistries for the Accurate Determination of the Thermodynamic Properties of Chemical Compounds


    The availability of high performance electronic computers is continuously growing as an effective tool in achieving accurate thermodynamic properties of chemical compounds by electronic structure quantum-mechanical calculations. The knowledge of accurate thermodynamic properties permits the prediction of the molecular reactivity and gas-phase reaction mechanisms, directly applicable in the study of atmospheric degradation processes. The laboratory has extensively examined the reliability for a plethora of model chemistries employing inexpensive density-functional theory (DFT) methods and infinite basis extrapolation methods in conjunction with coupled-cluster theory - CCSD(T) -, mainly for molecules containing all four halogen atoms (F, Cl, Br, and I). The superiority of the B3P86 functional in providing very accurate bond dissociation energies was the outcome of a relatively recent work, as well as that of the B3PW91 and B3LYP functionals is the determination of accurate enthalpies of formation and ionization potentials. Further work aiming at reducing the cost of CCSD(T) calculations in large molecules as well as providing approximations for the scalar-relativistic and core/valence correlation effects is currently in progress.




    Design of Environmentally Friendly Molecules as Refrigerants and Fire-suppressing agents


    The correlation of theoretically calculated molecular properties for extensive sets of compounds with kinetic parameters of their reactions with OH radicals and Cl atoms enables the construction of empirical expressions which may be used to predict their tropospheric reactivity. Furthermore, these expressions may suggest the optimal molecular structural features of molecules in order to be environment friendly. In recent studies, the correlation of calculated C-H bond dissociation energies and vertical ionization potentials with experimentally determined rate parameters for a series of fluorinated ethers was performed. The expressions derived permit the prediction of room-temperature rate coefficients with Cl atoms with an order of magnitude accuracy, using computationally affordable DFT calculations. Furthermore, it was shown that for fluorinated ethers and alcohols (proposed as alternatives to freons), high atmospheric reactivity (shortening their lifetimes and their consequent contribution to global warming) can be achieved by the presence of the -OCH3 or -CH2OH groups attached to a fluorinated alkyl chain whose structure can be freely tuned to attain the optimal physical properties.



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