Chemical Education 50 Programs|
Chemical Education 50 Programs |
| General Atoms/Molecules Equilibrium Aquatic Chemistry Mechanisms Spectroscopy |
| From 'Atoms/Molecules': | From 'Aquatic Chemistry': | From 'Aquatic Chemistry': | From 'General': | From 'Spectroscopy': |
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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. |
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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. |
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