Local Resources - Preprints

(Seurat)

THEORETICAL AND COMPUTATIONAL CHEMISTRY IN CRETE (TCCC)

PREPRINTS

  1. Periodic Orbits, Bifurcation Diagrams and the Spectroscopy of C2H2 System, by R.Prosmiti and S.C.Farantos, PUBLISHED in JCP 103, 3299, 1995.
    Supplementary Data
  2. An Effective Transition State for a Complex Cluster Isomerization Process: comparison between anharmonic and harmonic models for Mg^+Ar_{12}, by G. S. Fanourgakis, S. C. Farantos, P. Parneix and Ph. Brechignac, PUBLISHED in JCP, 106:4954, 1997.
    Supplementary Data
  3. Comparison of Line Search Minimization Algorithms for Exploring the Topography of Multidimensional Potential Energy Surfaces: the Mg^+Ar_n case, by J. Papadakis, G. S. Fanourgakis, S. C. Farantos, and M. Founargiotakis, PUBLISHED in J. Comp. Chem., 18:1011, 1997.
  4. Spectroscopic constants of the X-2S+ and A-2P states of Sr+Ar from first principles: Comparison with experiment, by Sotiris S. Xantheas, George S. Fanourgakis, Stavros C. Farantos and M. Velegrakis, PUBLISHED in JCP 1st January, 1998.
  5. A Classical Mechanical Study of the cis-trans isomerization Reaction in (H2O)_4 Cluster: An example of Non-Ergodic behaviour, by S. Kapetanakis and S. C. Farantos, to appear in S. Xantheas, editor, Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters. Plenum Publishing Corporation, 1998.
    Paper
  6. Highly excited vibrational states of HCP and their analysis in terms of periodic orbits: The genesis of saddle-node states and their spectroscopic signature by Christian Beck, Hans-Martin Keller, S. Yu. Grebenshchikov, Reinhard Schinke, Stavros C. Farantos, Koichi Yamashita and Keiji Morokuma, PUBLISHED in JCP, 107, 9818, 1997.
    Supplementary Data
  7. Photofragmentation Spectra and Structures of Sr^+Ar_n, n=2-8 Clusters: Experiment and Theory, by George S. Fanourgakis, Stavros C. Farantos, Mihalis Velegrakis, and Sotiris S. Xantheas, PUBLISHED in JCP, 109, 108, 1998.