[Tutor] Program to Predict Chemical Properties and Reactions

B G compbiocancerresearcher at gmail.com
Sat Jul 16 18:24:08 CEST 2011


I was just wondering how feasible it would be to build something like the
following:

Brief background, in chemistry, the ionization energy is defined as the
energy required to remove an electron from an atom. The ionization energies
of different elements follow general trends (ie moving left to right across
the periodic table, the ionization energy increases; moving down a group the
ionization energy decreases).

What if I wanted something such that we could type in a few elements and the
program would list the elements in order of increasing ionization energy
(for, say, the first ionization energy).  Any suggestions for going about
this?  I'm trying to brush up on my chemistry and thought the funnest way to
do it would be to build a program that can do this (if it works, I'd also
like to replicate it for level of electronegativity, atomic radius size,
electron affinity, and ionization levels 2, 3, and 4). I have a good idea of
pseudocode that could make this happen in terms of the rules of chemistry,
but having some trouble visualizing the actual implementation.

Thanks!
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