Pocket HyperChem 1.11d Semi-Empirical Methods
The full set of semi-empirical methods is available Pocket HyperChem 1.1, allowing research level calculations in your pocket! These include calculations of electronic spectra using ZINDO, vibrational analysis calculations with PM3, or structure optimizations with any of our full set of semi-empirical methods. These calculations can be performed with the typical amount of memory of most handheld computers.
MODEL BUILDING AND VISUALIZATION
· Building molecules with Pocket HyperChem is simple: choose an element from a periodic table, then tap and drag with the stylus to sketch a structure.
· Pocket HyperChem's model builder turns rough sketches into 3D structures. It can even handle highly coordinated metal complexes.
· Rendering choices include sticks, balls and cylinders, and CPK spheres, with and without shading. Orbitals and electron densities can be displayed as wire-mesh or shaded solid surfaces, or as contour plots.
· Extensive selection and highlighting capabilities make it easy to focus on areas of interest in complex molecules. Stylus manipulation of structures is easy. Rotate, translate and zoom to view a molecule or modify its structure.
- MM and Extended Huckel.
- Perform calculations, including optimization, using the full range of semi-empirical methods: CNDO, INDO, MINDO3, MNDO, AM1, PM3 and ZINDO.
- Calculate electronic and vibrational spectra.
- Calculate orbital energy levels, and display orbitals as 2D contour plots or 3D surfaces.