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
Lecture notes on theoretical chemistry

Lecture notes on theoretical 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.

sNA Pages
Lecture Notes and Instructional Material in Theoretical Chemistry

Lecture Notes and Instructional Material in Theoretical Chemistry

Millard H. Alexander's instructional material delves into more complex topics in modern theoretical chemistry. He covers approximation methods, electronic structure theory, molecular spectroscopy, collision theory, and chemical kinetics in comprehensive discussions. The text follows this format to delve deeper into the mathematical and physical foundations of molecular behavior, specifically in the context of computational and experimental chemistry. This article is a manuscript guideline for graduate students in theoretical chemistry looking to extend their knowledge in these specialized topics.

sNA Pages