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| CHIM0212-1

 | Physical chemistry II, molecular aspects

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| Duration : | 30h Th, 15h Pr, 15h QA Sess. | |
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| Holder(s) : | Françoise Remacle | |
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| Course contents :
| 0. Introduction and motivation I. Introduction to molecular electronic structure : simple systems II. Symmetry of molecular orbitals III. The Hückel method IV. Selection rules in optical spectroscopy V. Hartree-Fock Theory applied to molecules VI. Beyond Hartree-Fock Theory VII. Applications to reactivity at the molecular level | |
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| Course objective :
| Theoretical concepts and computing methods that allow an understanding of the structural and electronic molecular properties and of the chemical reactivity at the molecular level | |
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| Prerequisites :
| Fundamentals of quantum mechanics | |
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| Organization :
| Course : 30 h , first semester monday 8h30-10h30 Exercises : 15h at the first semester Lab : 15h on computer at the first semester | |
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| Written notes :
| available at the first semester | |
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| Assessment :
| oral and written exams, general interrogation on exercises | |
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| Contacts :
| Francoise Remacle. Bureau R81, Bâtiment B6c Licence-Recherche Email : fremacle@ulg.ac.be Tél. 04 3662347
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