Chemistry in Cyberspace


NEW COURSE: CHEMISTRY 5P31 To be offered in Winter term, Jan. 1997.

CHEMISTRY IN CYBERSPACE:

The Computer as an adjunct to the Chemistry Laboratory and Library.

In this course we will explore various aspects of computational organic, inorganic, organometallic and coordination chemistry including:

A.
The use of the internet as a source of basic information, interactive information and computation, and software, both free and commercial will be explored as an aid in understanding chemistry and solving problems.

B.
The use of molecular mechanics/molecular modeling in chemistry, which will include the adjusting parameters in the modeling programs. Examples will be chosen from organic and inorganic chemistry.

C.
A comparison of the use of semi-empirical and ab-initio computational chemistry packages to derive structures and other molecular properties which may supplement lab data or provide calculated properties where the measurement is not possible; comparisons with structural data derived from molecular mechanics will be made.

D.
The use and comparison of various commercial packages available in the Department.

E.
A look at the state of the art --- are computational methods now sufficiently accessible and easy to use to be useful to the experimentalist, who is not a "theoretician"? You be the judge.

The course will be seminar/discussion based, with hands-on use of packages of programs written for the experimental chemist and discussion of papers from the literature.

For further information, talk to Jack Miller


Return to Prof. Miller's Page.
This page is: http://chemiris.labs.brocku.ca/~chemweb/faculty/miller/c531.html
Last reviewed by: jmiller@chemiris.labs.brocku.ca on Wed Jun 5 10:36:35 EDT 1996
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