1. Current and Past Research Projects at CATCO

    1. Method Development

      1. Correlation Corrected Ab Initio Methods
      2. Density Functional Theory
      3. Relativistic Theory ---> See Research Topic
      4. Calculation of Magnetic Properties
      5. Calculation and Analysis of Vibrational Spectra---> See Research Topic
      6. Conformational and Structural Analysis
      7. Analysis of the Potential Energy Surface

    2. Nanotechnology Related Research

    3. Reaction Mechanism and Reaction Dynamics

    4. Computer Assisted Drug Design

    5. NMR Spectroscopy and Analysis of NMR Parameters

    6. Development and Application of Relativistic Methods

    7. Ozone and its Reactions

    8. Description of van der Waals Complexes

    9. Vibrational Spectrocopy

    10. Exact Geometries

    11. Free Silylium Cations

    12. Electron Density Analysis

    13. Electron Transport Calculations

  2. Publications