Information for foreign students


UNIWERSITY OF WARSAW

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

16


Subject

Molecular Orbitals in Chemistry


No / course unit code


Semester

2M

Type of course

Lecture


Teaching hours
 per semester    per week

15      2

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:

The lectures are focussed on molecular orbital theory and its applications to chemical problems.

Course description:

Course covers the following subjects: separation of electronic and nuclear motions in molecules, orbital approximation, the Hartree-Fock method, the LCAO-MO method, basis set problem, the electron correlation , density function theory. All these methods are used for calculations of various molecular properties: electron density, multipole moments, optimal geometry, harmonic vibrational frequency, reaction path, NMR chemical shift and nuclear spin-spin coupling constant.

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