Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics (3rd Edition) For A Comprehensive Guide

ISBN-13: 9783319309149

The book “Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics (3rd Edition)” provides a comprehensive overview of the fundamental principles and practical applications of computational chemistry. The author delves into the theoretical foundations of molecular and quantum mechanics, explaining key concepts such as electronic structure theory, molecular dynamics, and statistical mechanics.

The book covers a wide range of topics, including the methods used in computational chemistry, such as ab initio, semi-empirical, and density functional theory. It also explores the applications of computational chemistry in various fields, such as drug design, materials science, and environmental chemistry.

Throughout the book, the author provides clear explanations and examples to help readers understand complex concepts and apply them to real-world problems. The third edition includes updated information on the latest developments in computational chemistry, making it a valuable resource for students, researchers, and professionals in the field. “Computational Chemistry” is a comprehensive and accessible guide to the theory and applications of computational chemistry.

This edition retains the full content with the added advantage of portability, allowing readers to easily access and engage with the material from any device, whether in a classroom or during fieldwork.