Software developed by GMDM
In this page you will find some computer programs in java developed in our research group
that you can run freeware with your Web Browser.
Algorithms for connecting two arbitrary carbon nanotubes (v1.0), and for building Y-junctions of three carbon nanotubes (v2.0).
- QM-CNT-DB: Quantum Mechanics Carbon Nanotube DataBase.
The aim of this project is to build a database with different properties (IR, NMR, electronic, geometrical, etc.) of carbon nanotubes (CNTs)
obtained from Quantum Chemical calculations. (in construction!)).
- 3JH,H Vicinal Coupling Constants Program
This Java applet calculates the coupling constants between vicinals hydrogens
of organic compounds, according to the Haasnoot, Leew and Altona equation.
The calculations are performed from the geometries of PDB files, and it can
also run multiple calculations from several molecules.
In addition, it perfoms average 3JHH values of conformers according to the Boltzman