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Topic: Ideas for chemistry computations?  (Read 2829 times)

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Offline quantum_toothpaste

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Ideas for chemistry computations?
« on: June 14, 2010, 10:15:48 AM »
Hello,

I want to write some programs that simulate chemistry interactions. Do you have any ideas what some ones to get started with?

thank you!
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Offline Woofuls

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Re: Ideas for chemistry computations?
« Reply #1 on: June 24, 2010, 07:35:18 PM »
What you're asking is very vague. Try reading this first: http://en.wikipedia.org/wiki/Computational_chemistry
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Offline Jorriss

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Re: Ideas for chemistry computations?
« Reply #2 on: June 25, 2010, 12:23:10 AM »
Probably a book on some programming language.
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Offline billnotgatez

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Re: Ideas for chemistry computations?
« Reply #3 on: June 25, 2010, 07:53:37 AM »
I assume you are looking for some formula that you can use as a basis of a program. Although this has been done - the ideal gas law formula with all its variations on which gas constant to use may be of interest.
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