Theoretical Chemistry Group, University of Pune



  • Molecular Dynamics
  • QSAR
  • Excited States
  • Cluster Building for computational(number crunching)work
  • Catastrophe Theory


Educational Links, Computer Stuff and Packages

  • MIT OpenCourseWare  Get all the Undergraduate and Graduate lectures, videos,demos, problem sets and solutions. An excellent repository, perhaps the first but not the first place to start.
  • A glossaryof textbook physics nicely laid out.
  • A nice and elaborate periodic table that fits into your applications easily
  • The National Institute of Standards and Technology Online  Scientific Database. Also some calculation benchmarks and data for modelling work
Departmentof Chemistry


  1. Using the dynamic liquid-liquid interface in a Hele-Shaw cell for crystal growth and nanoparticle assembly
    D. Rautaray, R. Kavathekar and Murali Sastry,
    Faraday Discussions 2005,129,205-209
  2. Electrostatic Potential Topography for Exploring Electronic Reorganizations in 1, 3 Dipolar Cycloadditions
    P. Balanarayan, Ritwik Kavathekar, Shridhar R. Gadre,
    Journal of Physical Chemistry A2007,111,2733; DOI: 10.1021/jp067247o
  3. WebProp: Web Interface for Ab Initio One-Electron Property Calculations
    V. Ganesh, Ritwik Kavathekar, Anuja Rahalkar, and Shridhar R. Gadre,
    Journal of Computational Chemistry,2008,29, 488