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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 
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.
Author(s): Allan Cunningham and Rory Whelan
119 Pages
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.
Author(s): Millard H. Alexander
NA Pages