semmelweis university 2 0 1 2 / 2 0 1 3

PHYSICAL ORGANIC CHEMISTRY
Institute of Organic Chemistry
SEMMELWEIS UNIVERSITY / FACULTY OF PHARMACY
The number of registered organic compounds is well over 15 million. Innumerable basic reactions
contact them. How can we find an order in this jungle of compounds and cavalcade of reactions?
How can the reactions be oriented? How can they be used for synthesis of drugs and many other
practically important compounds (polymers, dyestuffs, etc.)? How do energy changes direct
organic reactions? How can we control the factors influencing them?
Organic reactions take place in the interaction of atomic and molecular orbitals. These changes
are the molecular base of life, too. Is it possible to get an insight into them by simple
mathematical methods?
All these questions concern physical organic chemistry, i.e. the study oganic reaction mechanism.
Programme
1. Systematics of organic reaction mechanism according to the notation system of IUPAC.
2. The basic concepts and applications of perturbational molecular orbital (PMO) method for
interpretation of reaction mechanism.
3. Energetics or organic reactions.
4. Experimental methods for investigation of reaction mechanism.
5. Factors which influence the reaction (reagents, concentration, solvent, catalyst,
temperature, etc.).
6. Analysis of the basic organic reaction types on selected examples.
7. Symmetry principles in organic reactions.
8. Orbital interactions as the molecular base of life processes.
COMPUTATIONAL CHEMISTRY AND QSAR METHODS
Institute of Organic Chemistry
1. Computational chemistry and molecular modeling: topics, scope and limits.
2. Quantum chemistry: basic principles and methods.
3. Molecular mechanics and dynamics.
4. Chemical stability and reactivity: thermodynamics and kinetics:
qualitative and quantitative predicting methods; case studies.
5. Secondary interactions: molecular basis of receptor-ligand interactions.
6. QSAR methods: prediction of biological activity.
7. Applications and practice.
Faculty of
Pharmacy
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