class is dedicated to molecular modeling at mechanic and quantum levels.
Practical sessions will treat concrete molecular modeling problems.
mechanics, main force-fields.
mechanics for chemists, semi-empiric methods, ab-initio and DFT methods.
training using PCMODEL and WINMOPAC softwares, applications to structural and
molecular reactivity problems.
report during the last practical
text of the course and the slides presented during the sessions are available on
the e-learning platform : moodle.insa-rouen.fr