Information for foreign students


UNIWERSITY OF WARSAW

1 Pasteura Str., 02-093 Warsaw, Poland, phone: +48 (0)22 822 02 11

17


Subject

Molecular Orbitals in Chemistry


No / course unit code


Semester

2M

Type of course

Computer laboratory


Teaching hours
 per semester    per week

15      1

ECTS credits

1


Lecturer:

Prof. dr. hab. Joanna Sadlej
Room: 415; 417     Phone extn.:280     email: sadlej@chem.uw.edu.pl

Teaching Division:

Physical Chemistry

Educational and
professional goals:

To get acquainted with the possible applications of the molecular orbital approach to study various chemical problems.

Course description:

During classes each student uses quantum chemical program packages (Gaussian 98, Gaussian 03, Gamess, Dalton) to calculate electronic structure, some molecule properties and spectra for many molecules.

Literature:

1. P. W. Atkins, Physical Chemistry, Oxford University Press.
2. H. Haken, H. Ch. Wolf, The physics of atoms and quanta, Springer Verlag; and Molecular physics and elements of quantum chemistry, Springer Verlag, Berlin 1994.
3. L. Piela, Quantum Chemistry, Elsevier, 2007.

Required background:


Molecular Spectroscopy II, Quantum Chemistry.

Form of assessment:


Exam

Remarks:

-




Supervisor: Jadwiga Skupinska

Webmaster: Adam Myslinski