Molecular Modeling of Geochemical Reactions: An Introduction

Kubicki, James D.

ISBN 10: 1118845080 / ISBN 13: 9781118845080

Published by John Wiley & Sons Inc, 2016

About this Item

This book illustrates the power of computational geochemistry across a broad range of sub-disciplines, including the dominant areas of geochemistry such as isotopic, aqueous, organic, bio-, igneous and environmental geochemistry. Num Pages: 296 pages. BIC Classification: RBGK. Category: (P) Professional & Vocational. Dimension: 244 x 170. . . 2016. 1st Edition. Hardcover. . . . . Books ship from the US and Ireland.

Seller Inventory # V9781118845080

Bibliographic Details

• Title: Molecular Modeling of Geochemical Reactions: An Introduction
• Publisher: John Wiley & Sons Inc
• Publication Date: 2016
• Language: English
• ISBN 10: 1118845080
• ISBN 13: 9781118845080
• Binding: Hardcover
• Condition: New

About this title

Synopsis

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.

About the Author

Professor James David Kubicki, Department of Geosciences, The Pennsylvania State University, USA
Dr Kubicki has 25 years of experience in computational geochemistry across a variety of sub-disciplines. He has published on melts and glasses, high-pressure mineral physics, aqueous geochemistry, organic geochemistry, environmental geochemistry, biogeochemistry and isotopic geochemistry. He has been an editor of three books, two on computational geochemistry and one on geochemical kinetics. Dr Kubicki has been a professor at The Pennsylvania State University for 15 years and has taught about computational geochemistry in all of his graduate courses. In addition, he has participated in numerous multi-disciplinary research projects and mentored graduate and undergraduate students on computational geochemistry research methods. He has organized two workshops on methods and applications in computational geochemistry.