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CHIM-F443
Approches computationnelles des états de la matière
Course teacher(s)
Nathalie VAECK (Coordinator), Antoine Aerts, Emilie CAUET and Martine PREVOSTECTS credits
5
Language(s) of instruction
french
Course content
Content: introduction to chemometrics (experimental design, multivariate and principal components analysis, QSAR) and to computational chemistry (molecular mechanics, Hartree-Fock and post-Hartree-Fock methods, density functional theory)
Objectives (and/or specific learning outcomes)
Goal: introduction to computer techniques for analyzing chemical data and for modelizing molecules and molecular reactivity. Preparation to reading research papers in computational chemistry
Teaching methods and learning activities
Teaching Method: Ex cathedra lectures illustrated by examples from the literature and by on line computer applications. Exercises consisting in the analysis of research papers.
References, bibliography, and recommended reading
Biblio: Leach, Prentice Hall 2001; Brereton, Wiley 2003
Other information
Contacts
Solbosh, Bâtiment D, local DC7-125 Tél: 02-6504089 E-mail: jlievin@ulb.ac.be
Evaluation
Method(s) of evaluation
- Other