This
note explains the following topics: d-band model, BEP line, Sabatier's
principle, Volcano curve, Temperature and pressure gaps, Compensation effect and
Lateral interactions.
Author(s): Karoliina
Honkala, Department of Chemistry, Nanoscience Center, University of Jyvaskyla
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.
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.