CHIM9219-1 : Theoretical and quantum chemistry

Study Programmes 2015-2016

CHIM9219-1

Theoretical and quantum chemistry

Duration :

30h Th, 15h Pr, 15h QA Sess.

Number of credits :

Master in chemistry (120 ECTS)		4
Master in chemistry (60 ECTS)		4

Lecturer :

Françoise Remacle

Language(s) of instruction :

English 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 :

Basic notions of quantum chemistry and of the computation of molecular electronic stucture. Application to molecular structure, optical spectroscopy and chemical reactivity.
The basic notions are illustrated by exercises and computer lab where the electronic structure of simple systems is computed.

Learning outcomes of the course :

Basic notions of molecular electronic structure and practical applications of quantum chemistry.

Prerequisite knowledge and skills :

Basic notions of quantum mechanics

Planned learning activities and teaching methods :

15h of exercises
15h of computer lab

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

first quarter

Recommended or required readings :

available

Assessment methods and criteria :

Written exam on exercises
oral exam on the course

Work placement(s) :

Organizational remarks :

Contacts :

Françoise Remacle
Chemistry Department, B6c
Phone : 04 3662347
email : fremacle@ulg.ac.be

Items online :

BAC3-MA1 lesson 11 chap 5
BAC3-MA1 lesson 11 chap 5

BAC3-MA1 lesson 12-13-14 chap 6
BAC3-MA1 lesson 12-13-14 chap 6

BAC3-MA1 lesson 3 chap 2
BAC3-MA1 lesson 3

BAC3-MA1 lesson 2
lesson 4

BAC3-MA1 lesson 4-5-6 chap 3
lesson 4-5-6 chap 3

BAC3-MA1 lesson 7
BAC3-MA1 lesson 7

BAC3-MA1 lesson 7-8 chap 4
BAC3-MA1 lesson 7-8 chap 4

BAC3-MA1 lesson 9-10
BAC3-MA1 lesson 9-10

lesson 1-2 and chapters 0-1
lesson 1-2 and chapters 0-1