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Computational Chemistry

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		Computational Chemistry and Organic Synthesis ^Votes:0 Computational Chemistry and Organic Synthesis A course to introduce computational chemistry to synthetic-organic chemists, who would like to understand why they got the product they got and not (always) the compound they wanted. With emphasis on the Transition State (TS): how to construct it, characterize it, and compare it to other alternatives. Starting with conformational changes, and ending with 'real' reactions. (AMPAC5.0 GUI graphics) Introduction At the CAOS/CAMM Center we noticed an increasing interest, from synthetic chemists, for molecular modelling as a tool, next to spectroscopic and other physical techniques. Mostly what they are after is an explanation for experimental product ratios. This observation inspired us to compose a course on this subject, with emphasis on a practic Read More Go to Site


		Molecular Modelling ^Votes:0 (c) Henry Rzepa. 1995-2003. Read More Go to Site

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Computational Chemistry

Computational Chemistry and Organic Synthesis

Molecular Modelling