Lecture Notes

Undergraduate Physical Chemistry -- Quantum Chemistry & Spectroscopy (In progress)

Related links

1. HyperPhysics
2. Introductory Quantum Chemistry (Victor S. Batista)
3. A Brief Review of Elementatry Quantum Chemistry
4. Solving 1D Schrodinger Equation Online
5. The Orbitron (Viewing Atomic and Molecular Orbitals on the WWW)
6. A New Pictorial Approach to Molecular Structure and Reactivity

Wiki-Books

1. Computational Chemistry:  Fundamental (Planning)
2. Computational Chemistry:  Practice  (Planning)

Chemical Kinetics

1. Transition State Theory and Variational Transition State Theory

Computational Chemistry Links

1. Theoretical Chemistry Page
2. What is Present Day Theoretical Chemistry About?
3. A Chemistry Educator's Guide to Molecular Modeling
4. Electronic Structure Methods With Applications to Amorphous Semiconductors
5. An ab Initio Study of Biological Systems
6. Basics of Density Functional Theory 
7. Computational Thermochemistry
8. Counterpoise Corrected Potential Energy Surface
9. Density functional theory in periodic systems using local Gaussian basis sets
10. Density Functional Theory
11. Linear-scaling methods in ab initio quantum-mechanical calculations
12. Population Analysis in Plane Wave Electronic Structure Calculations
13. Theory of Atoms in Molecules
14. O(N) Tight-Binding Molecular Dynamics on the T3D
15. TIGHT-BINDING PARAMETRIZATION OF FIRST-PRINCIPLES RESULTS
16. Understanding Molecular Simulation
17. Glactone's Molecular Modeling Exercises

-- TWikiuest - 28 Jul 2006