Mathematics is the language of chemistry. When chemistry is described in mathematical terms, it is called theoretical chemistry. Once a theoretical chemistry method has been developed into an automated computer program, we call it computational chemistry. The current trends in chemical education bring students into contact with the fundamental mathematical language of chemistry as soon as they step into the classroom or go online. This trend toward quantitative chemistry is largely due to the reliance on computational chemistry in teaching and research. Every chemistry student, teacher and researcher uses computational chemistry to solve problems from the most basic calculation of the hydrogen molecule potential energy curve to highly complex visual simulations of protein folding and docking.
This book is an introduction to the key equations that are the basis for computational chemistry. The book is divided into two parts: Quantum Mechanics and Kinetics. The core mathematical tools needed to master the book are algebra and basic calculus (derivatives and integration). Each section introduces a key chemistry equation, describes the fundamental concept behind the equation, and gives an example of how the equation would be used to solve a problem on a chemistry exam.
The book is written for advanced high school students and undergraduate students taking introductory chemistry. Students in introductory chemistry often struggle with learning how to master fundamental mathematical concepts and apply their knowledge to creatively solve problems using critical thinking skills. The goal of the book is to get students in the habit of independent analysis and reason in problem solving.