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COMPUTER-AIDED CHEMISTRY

CHIMAO
2.0
9
COMPUTER-AIDED CHEMISTRY
Fr

16,5 h

This class is dedicated to molecular modeling at mechanic and quantum levels. Practical sessions will treat concrete molecular modeling problems.

Molecular mechanics, main force-fields.

Quantum mechanics for chemists, semi-empiric methods, ab-initio and DFT methods.

Practical training using PCMODEL and WINMOPAC softwares, applications to structural and molecular reactivity problems.

Written report  during the last practical session.

The complete text of the course and the slides presented during the sessions are available on the e-learning platform : moodle.insa-rouen.fr

 

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