Basic Information
Atomic Orbitals, The Functions and Their Shapes, Tpes of Orbitals, Basis Sets. Molecular Orbitals (md). Overlap Integrals. Mo's Symmetries of and Types. Mathematical and Structural Construction of Mo. Introduction to Pmo. Application of Pmo In Construction of Mo. Symmetry and Character Tables. Using Symmetry In Construction of Mo. Building Mo of Fundamental Fragments and Using Them For Construction of Mo For Larger Systems. Hybridization. Through Space and Through Bond Interactions. Basic Usage of The Gaussian Software. Building a Z-matrix, Reading The Output.
Faculty: Chemistry
|Undergraduate Studies
|Graduate Studies
Pre-required courses
(124400 - Quantum Chemistry 1 and 124703 - Structure and Activity in Organic Chem.) or (124408 - Intr.to Quantum Chemi.and Applications and 124703 - Structure and Activity in Organic Chem.)
Course with no extra credit
127455 - Molecular Orbitals in Organic Chemistry
Related Books
- Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics - Lewars, Errol
- Discovering chemistry with natural bond orbitals - Weinhold, Frank
- Essentials of computational chemistry : theories and models - Cramer, Christopher J.,
- Introduction to computational chemistry - Jensen, Frank
- Introduction to computational chemistry / Frank Jensen. - Jensen, Frank
- Orbital interactions in chemistry - Albright, Thomas A.
- Orbital interactions in chemistry - Albright, Thomas A.
- Orbital interactions in chemistry - Albright, Thomas A.