Title Details: | |
Applications of Symmetry and Group Theory in Quantum Chemistry and Spectroscopy |
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Authors: |
Sigalas, Michail Antonoglou, Lemonia Charistos, Nikolas |
Reviewer: |
Giannakoudakis, Andreas |
Subject: | NATURAL SCIENCES AND AGRICULTURAL SCIENCES > > MATHEMATICS AND COMPUTER SCIENCE > MATHEMATICS > GROUP THEORY AND GENERALIZATIONS > FOUNDATIONS MATHEMATICS AND COMPUTER SCIENCE > MATHEMATICS > GROUP THEORY AND GENERALIZATIONS > REPRESENTATION THEORY OF GROUPS MATHEMATICS AND COMPUTER SCIENCE > MATHEMATICS > GROUP THEORY AND GENERALIZATIONS > ABSTRACT FINITE GROUPS MATHEMATICS AND COMPUTER SCIENCE > MATHEMATICS > GROUP THEORY AND GENERALIZATIONS > ABELIAN GROUPS |
Description: | |
Abstract: |
In this chapter, the applications of symmetry and group theory in Quantum Chemistry are presented, specifically the prediction of the number of molecular orbitals associated with each BSP of a molecule's point group, the determination of the BSP associated with a molecular orbital calculated using a quantum chemical method, the prediction of the atomic orbitals of the central atom that constitute the hybridized orbitals of each symmetry, and the prediction of zero or nonzero integrals involving wavefunctions and operators.
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Type: |
Chapter |
Creation Date: | 2015 |
Item Details: | |
License: |
http://creativecommons.org/licenses/by-nc-sa/3.0/gr |
Handle | http://hdl.handle.net/11419/4028 |
Bibliographic Reference: | Sigalas, M., Antonoglou, L., & Charistos, N. (2015). Applications of Symmetry and Group Theory in Quantum Chemistry and Spectroscopy [Chapter]. In Sigalas, M., Antonoglou, L., & Charistos, N. 2015. Molecular Symmetry and Group Theory [Undergraduate textbook]. Kallipos, Open Academic Editions. https://hdl.handle.net/11419/4028 |
Language: |
Greek |
Is Part of: |
Molecular Symmetry and Group Theory |
Publication Origin: |
Kallipos, Open Academic Editions |