Beruflich Dokumente
Kultur Dokumente
Theoretical Chemistry
Jack Simons
Chemistry Department
University of Utah
A. Operators
B. Wave functions
II. Your first application of quantum mechanics- motion of a particle in one dimension.
B. Boundary Conditions
or Tight-Binding Theory
V. Hydrogenic Orbitals
Character Tables
1. Changes in Bonding
2. Energy Conservation
4. Rates of change
1. Rotational Spectroscopy
2. Vibrational Spectroscopy
3. X-Ray Crystallography
4. NMR Spectroscopy
A. Orbitals
2. The LCAO-Expansion
3. AO Basis Sets
c. Polarization Functions
d. Diffuse Functions
a. Koopmans' Theorem
5. Molecular Orbitals
1. Electron Correlation
a. The CI Method
b. Perturbation Theory
B. Photoelectron Spectroscopy
A. Gas-Molecule Thermodynamics
E. RRKM Theory
A. Spectroscopic Methods
B. Beam Methods
C. Other Methods