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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 
Advanced Theoretical Chemistry by Jack Simons
Advanced text on Jack Simons' book deals with the concepts and applications of theoretical chemistry. It deals with foundational quantum mechanics, model problems, and characterization of energy surfaces. The book also discusses the practical tools and methods used in theoretical chemistry, like quantum dynamics, statistical mechanics, and chemical dynamics. It primarily focuses on the computational techniques that support both theoretical research in chemistry and discuss topics such as electronic structure, chemical kinetics, relationship between the theory and experimental data.
Author(s): Jack Simons, University of Utah
NA Pages
Theoretical Chemistry by Jack Simons
It describes in detail the role of theory in chemistry. Key concepts covered include chemical kinetics, oxidation numbers, electronegativity, and application of various theoretical methods like quantum dynamics and classical Newtonian dynamics. This note also underlines the importance of an interface between the laboratory and theory inasmuch as experimental measurements interact with the theoretical models. It discusses advanced topics such as mixed classical and quantum dynamics, the Car-Parrinello method, and their applications to large biomolecules and polymers, giving insight into the scope and methods used in modern theoretical chemistry.
Author(s): Jack Simons, University of Utah
NA Pages