Chemistry BooksTheoretical Chemistry Books

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.

Author(s):

s43 Pages
Similar Books
Maths for Chemists

Maths for Chemists

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.

s119 Pages
Theoretical Chemistry I Quantum Mechanics

Theoretical Chemistry I Quantum Mechanics

This is an all-inclusive PDF note on an introduction to quantum mechanics in theoretical chemistry. Major concepts introduced are wave mechanics, quantum dynamics, and angular momentum. The material under study includes approximation methods and symmetry in quantum mechanics, which forms the key for molecular behavior. The theory of chemical bonding, scattering theory, and relativistic quantum mechanics were also considered. This note provides students with a comprehensive exposure to the role that quantum mechanics plays in the explanation of chemical phenomena and provides a foundation for more sophisticated theoretical studies in chemistry.

s166 Pages