Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)
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 guide is meant to
provide easy access for chemistry students to develop necessary mathematical
skills in a concise, at-hand fashion. It relates key mathematical concepts that
commonly are applied in chemistry, in algebra, calculus, and statistical
methods. The book presents mathematics as fundamental to solving problems in
chemistry and for grasping more sophisticated ideas in physical chemistry,
quantum mechanics, and molecular simulations. It is focused on enhancing the
student's ability to apply mathematical tools in both theoretical and
experimental contexts in chemistry.
This lecture
note set deals with basic issues in theoretical chemistry, such as specific
gravity, chemical nomenclature, atomic structure, and chemical bonding. The set
focuses on fundamental concepts in molecular chemistry, such as chemical
equations, the periodic law, and behavior of gases. The purpose is to develop a
robust understanding of the core topics from which deeper study is pursued in
theoretical chemistry, serving as an introduction for students at all levels.