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Topic: Computational chemistry courses?  (Read 3228 times)

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Offline avoG

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Computational chemistry courses?
« on: December 16, 2012, 06:07:03 PM »
Are computational chemistry courses worth it? I have the option of adding them to my degree but I don't know if I will actually use it.The only mandatory course that will involve some computation is my experimental methods in nano science course where we will look at the computational modeling of nano structures.If I don't take these i will probably take inorganic 2 and an advanced lab in analytical or organic chemistry.

Here are the courses:

Methods of Computational Chemistry
Molecular orbital theory of organic and inorganic chemistry. Applications of computational chemistry to chemical bonding, aromaticity, molecular spectra. Semi-empirical and ab initio electronic structure theory. Comparison of theoretical methods used to obtain molecular properties. Introduction to statistical thermodynamics.

Computational Chemistry Methods Laboratory
Industry-standard quantum chemistry software is used for Hartree-Fock, density functional, and post Hartree-Fock correlation calculations. Results are applied to problems in molecular structure, thermodynamics, vibrational spectroscopy, and kinetics. The UNIX operating system, Bourse-shell programming, and Python scripting are also introduced.

Offline curiouscat

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Re: Computational chemistry courses?
« Reply #1 on: December 16, 2012, 10:47:05 PM »
I'd say it's definitely worth it but hard to choose between these two. Neither description excites me much but maybe the latter course is a little nicer.

I'm pretty sure that in 5 years CC will be much more relevant than today and in 10 more than 5. If you factor in that projection it does put CC in a more favorable light.

Caveat: I'm biased. I did use a lot of CC in my PhD.

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