Molecular Modeling of Geochemical Reactions: An Introduction

By James D. Kubicki

Molecular processes in nature affect human health, the availability of resources and the Earth's climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: * Theory and Methods of Computational Chemistry * Force Field Application and Development * Computational Spectroscopy * Thermodynamics * Structure Determination * Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

• Format: Hardcover
• Language: English
• ISBN: 1118845080
• ISBN13: 9781118845080
• Release Date: July 2016
• Publisher: Wiley
• Length: 440 Pages
• Weight: 2.35 lbs.
• Dimensions: 1.0" x 7.1" x 9.8"