Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)
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Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)
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.
This page covers the following topics related to Advanced Theoretical
Chemistry : The Basics of Quantum Mechanics, Model Problems That Form Important
Starting Points, Characteristics of Energy Surfaces, Some Important Tools of
Theory, An Overview of Theoretical Chemistry, Electronic Structure, Statistical
Mechanics, Chemical dynamics.
There are already a
range of textbooks available that aim to help chemistry students develop their
mathematical knowledge and skills. This guide is not intended to replace those,
or indeed the notes provided by your lecturers and tutors, but instead it
provides an additional source of material presented in a quick reference style
allowing you to explore key mathematical ideas quickly and succinctly.