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| CHIM0280-1 | Theoretical Chemistry II | ||||||||
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| Duration : | 30h Th, 15h Pr, 10h QA Sess. | ||||||||
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| Holder(s) : | Françoise Remacle | ||||||||
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| Course contents : | The aim of the course is to provide the basic concepts of quantum chemistry and of the computation of molecular electronic structure with applications to molecular structure, optical spectroscopy and chemical reactivity. The course comprises a theoretical part, exercises and computer laboratories where the electronic structure of a few molecular systems is computed using the methods of quantum chemistry. The outline of the course is as follows : Chapter 0 : Introduction Chapter I : Electron spin and Pauli principle Chapter II : Approximation methods Chapter III : Introduction to the molecular electronic structure : Simple molecules Chapter IV : Electronic structure of polyatomic molecules Chapter V : Selection rules in optical spectroscopyChapter VI : Application of quantum chemistry to chemical reactivity | ||||||||
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| Course objective : | Theoretical concepts and computational methods that provide an understanding of structural chemistry, optical spectroscopy and chemical reactivity at the molecular level. | ||||||||
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| Prerequisites : | Quantum mechanics. | ||||||||
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| Organization : | 30 theory , 10h exercise, 15h computer laboratory. | ||||||||
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| Written notes : | Available. | ||||||||
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| Assessment : | Examens écrit et oral, interrogation générale sur les exercices. | ||||||||
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| Contacts : | Françoise Remacle Bureau R81, Bât B6c, LR Email : fremacle@ulg.ac.be Tél. : 04 3662347 | ||||||||
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ULg : Students and Studies Administration - Academic Affairs
Contact : Monique Marcourt, direction A.E.E.
Date of data : 18/05/2007
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