C8380 Quantum Chemistry II

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 7 fields of study the course is directly associated with, display
Course objectives
This lecture is an advanced lecture for undergraduate students of physical chemistry. Lecture introduces to a more advanced methods of modern molecular quantum mechanics based on theory of molecular orbitals. The key words of lecture are following: HMO, Hartree-Fock equations, all-valence electron methods, method of configuration interaction, advanced semiemperical methods of MO, ab-initio calculations, molecular modelling and FF calculations. The practical calculation 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
  • LEACH, Andrew R. Molecular modelling : principles and applications. 1st pub. Essex: Longman, 1996, xvi, 595. ISBN 0582239338. info
  • ATKINS, P. W. Quanta : a handbook of concepts. 2nd ed. Oxford: Oxford University Press, 1991, 434 s. ISBN 0198555725. info
  • POLÁK, Rudolf and Rudolf ZAHRADNÍK. Kvantová chemie : základy teorie a aplikace. 1. vyd. Praha: Státní nakladatelství technické literatury, 1985, 466 s. URL info
  • HOBZA, Pavel and Rudolf ZAHRADNÍK. Slabé mezimolekulové interakce v chemii a biologii. Vyd. 2. Praha: Academia, 1980, 131 s. info
  • HOBZA, Pavel and Rudolf ZAHRADNÍK. Slabé mezimolekulové interakce v chemii a biologii. Vyd. 2. Praha: Academia, 1980, 154 s. 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/C8380