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Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)
This note covers the following topics: Stretching Interactions, The Force-Field, Stretch Energy, Bend Energy, Torsional Energy, van der Waals Energy, Electrostatic Energy, Fitting Atomic Charges, The Fluctuating Charge Model, Other Polarizable Models, Parameterizing the Force Fields and Heats of Formation.
Author(s): C. David Sherrill
43 Pages 
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Realistic systems part1(PDF 32p)
This note explains the following topics: d-band model, BEP line, Sabatier's principle, Volcano curve, Temperature and pressure gaps, Compensation effect and Lateral interactions.
Author(s): Karoliina Honkala, Department of Chemistry, Nanoscience Center, University of Jyvaskyla
32 Pages
Realistic systems part2 (PDF 9p)
This note explains the following topics: Thin oxide films , Optimized adsorption geometries , Optimized transition states, Potential energy diagram, Pd versus Ni.
Author(s): Dage Sundholm
9 Pages