Tight integration with a number of molecular
analysis packages and a built-in calculation set-up environment make Chem3D the
ideal front-end to your molecular modelling and analysis needs.
The latest release of Chem3D provides a Gaussian client interface to set up jobs
for Gaussian 98W/98M. Compute surface areas and molecular volumes using the
Connolly Surface algorithms. Also predict advanced physical properties such as
LogP, solubility, molar refractivity and more.
Compute partial atomic charges using MOPAC or Huckel calculations. Visualize and superimpose molecular orbitals, electrostatic potentials, charge densities, spin densities and solvent accessible surfaces.
Release 5.0 has remodelled the graphical user interface into a unified window which allows customisation of the modelling, table and message areas. Extra export formats include: 3DMF, TIFF, BMP and PNG.
(Win / NT) (Mac)
1995-2010 - Last updated
11-January-2012