General    Atoms/Molecules    Equilibrium    Aquatic Chemistry    Mechanisms    Spectroscopy   

Examples:

From 'Atoms/Molecules': From 'Aquatic Chemistry': From 'Aquatic Chemistry': From 'General': From 'Spectroscopy':



Java animated 'Particle in the Box' from Christopher J. Grayce. It solves the Schrödinger equation on the spot when you drag the green barrier up and laterally with your mouse.

Java animated 'HMO (Hückel-MO)' from Arvi Rauk and Richard Cannings. This lets you compose a molecule graphically, generates the Hückel matrix and solves it in real time on your computer giving a graphical representation of HMO's and their energy levels.

Java animated 'CNDO/2' program by Pirika company. It takes a MOPAC type molecular structure (3-dimensional, example given), optimizes it and gives the final SCF-energy and the set of occupied and some unoccupied orbitals as a level scheme with orbital energies. A simple 3-D orbital plot is produced as well. The PM3 hamiltonian is used. The applet is extremely fast.