Chimie

Interactions avec la Chimie et l'Astrochimie

Contact : Patrick.Cassam-Chenai@unice.fr

• Modélisation de la Chromatographie en phase gazeuse
  • Eulerian and Lagrangian formulations in BVs for gas-solid chromatography
  • Kinetic formulation of a 2x2 hyperbolic system arising in gas chromatography
• Chimies interstellaire et circumstellaire - origine des briques du vivant:
  •  Spectres d’anisotropie et origine de la vie
    • Photonenergy-Controlled Symmetry Breaking with Circularly Polarized Light
    • Anisotropy-Guided Enantiomeric Enhancement in AlanineUsing Far-UV Circularly Polarized Light
  • Spectres ro-vibrationnels de molécules interstellaires d'intérêt exobiologique
    • A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system: Ethylene oxide
    • Anharmonic vibrational spectroscopy of polycyclic aromatic hydrocarbons (PAHs)
• Chimie des atmosphères planétaires - détection de vie extraterrestre
  • Présentation
  • Ab initio calculation of the rotational spectrum of methane vibrational ground state
• Spectroscopie moléculaire: dévelopement de nouvelles méthodes ab initio et de logiciels 
  • CONVIV
  • TONTO
  • BDF
• Techniques algébriques en chimie quantique
  • Algèbres de Hopf
    • The Hopf algebra of identical, fermionic particle systems-Fundamental concepts and properties
    • The electronic mean-field configuration interaction method: I. Theory and integral formulas
    • Geometric Measure of Indistinguishability for Groups of Identical Particles
  • Théorie des invariants
    • Symmetry-Adapted Polynomial Basis for Global Potential Energy Surfaces - Applications to XY4 Molecules
    • A Fast Algorithm for the Construction of Integrity Bases Associated to Symmetry-Adapted Polynomial Representations. Tetrahedral XY4 Molecules
    • Molien generating functions and integrity bases for the action of the SO(3) and O(3) groups on a set of vectors