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Purpose

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Presentation of Chemsoft topics

Chemsoft offers support in several areas of Chemistry with emphasis on educational aspects. The aim is to provide learning by hands-on experience using computer simulation of phenomena and/or theoretical principles. The older topics on Gasphysics, Chemical Kinetics, Statistical Thermostatics, and Spectroscopy (all in the Archive) comprise lecture notes and demonstration programs developed by the author during his academic teaching. In a simplified version for gymnasium level similar topics are touched under Chem Education with more than 50 computer programs accompanied by introductions.



Old Pascal Programs in the Archive

If you encounter problems when trying to run old Pascal programs on Windows XP, Vista, or 7, download DOSbox, install it and set cycles=max in the dosbox.conf file. A very good alternative is Free Pascal. You need to recompile the programs which usually do fine, especially if {$mode TP} enforces Turbo Pascal 7.0 compatibility. With DOSbox and FPC 2.6.2 or later all these programs run smoothly on Windows x86 or x64, on most Linux boxes and even on Mac's, as well.

G.N.Lewis' Model

This has become the largest part of this site. I have chosen to render G.N.Lewis' molecular formulas into a quantitative tool. With the simplest representation of the nuclear-electronic structure, using Kimball's free electron clouds, I show that one can obtain groundstate energy and energy components of molecules with a quality of small basis sets (~ HF/6-31G*) in a few seconds for molecules of some 30 to several 1000 atoms.