C6720 Quantum Organic Chemistry

Faculty of Science
Spring 2002
Extent and Intensity
2/0/0. 3 credit(s). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
doc. RNDr. Pavel Janderka, CSc. (lecturer)
Guaranteed by
doc. RNDr. Pavel Janderka, CSc.
Chemistry Section – Faculty of Science
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
there are 11 fields of study the course is directly associated with, display
Course objectives
This lecture is an advanced lecture for students of organic chemistry. It extends the concepts developed in the elementary course of quantum chemistry particularly the theory of molecular orbitals and its application to organic chemistry. The key words of the lecture are following: MO theory of polyatomic molecules, HMO, Hartree-Fock approach, configuration interaction, advanced methods of MO on the semiempirical level, ab initio calculation, molecular modelling and the FF level. The practical calculations are included.
Literature
  • ATKINS, Peter William and R. S. FRIEDMAN. Molecular quantum mechanics [Atkins, 1997]. 3rd ed. Oxford: Oxford University Press, 1997, xvii, 545. ISBN 0-19-855947-X. info
  • ATKINS, P. W. Quanta : a handbook of concepts. 2nd ed. Oxford: Oxford University Press, 1991, 434 s. ISBN 0198555725. info
  • ČÁRSKY, Petr, Jiří PANCÍŘ and Rudolf ZAHRADNÍK. Molekulové orbitaly v chemii. 1. vyd. Praha: Academia, 1974, 140 s. info
Language of instruction
Czech
Further Comments
The course is taught annually.
The course is taught: every week.
The course is also listed under the following terms Spring 2008 - for the purpose of the accreditation, Spring 2000, Spring 2001, Spring 2003, Spring 2004, Spring 2005, Spring 2006, Spring 2007, Spring 2008.
  • Enrolment Statistics (Spring 2002, recent)
  • Permalink: https://is.muni.cz/course/sci/spring2002/C6720