CHIM0090-1 : Theory and modeling of hybrid molecular complexes

Study Programmes 2015-2016

CHIM0090-1

Theory and modeling of hybrid molecular complexes

Duration :

15h Th

Number of credits :

Master in chemistry (120 ECTS)		2
Master in chemistry (120 ECTS)		2
Master in chemistry (120 ECTS)		2
Master in chemistry (120 ECTS)		2
Specialised master in nanotechnology		3

Lecturer :

Françoise Remacle

Language(s) of instruction :

French language

Organisation and examination :

Teaching in the first semester, review in January

Units courses prerequisite and corequisite :

Prerequisite or corequisite units are presented within each program

Course contents :

The course is devoted to the different theoretical approaches of quantum chemistry that allow to compute the structural, electronic properties of hybrid complexes metallic cluster-organic molecules. The second part is devoted to the formalisms used to compute optical and transport properties.

Learning outcomes of the course :

Fundamentals
(i) of molecular quantum chemistry applied to hybrid complexes metallic cluster-organic molecule
(ii) of the formalisms used to compute optical and transport properties at the molecular level.

Prerequisite knowledge and skills :

Basic concepts of quantum mechanics and of molecular physical chemistry.

Planned learning activities and teaching methods :

Mode of delivery (face-to-face ; distance-learning) :

Schedule fixed according to the students availability