Molecular Modeling Of Geochemical Reactions. An Introduction

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RUR 10419.59

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Molecular processes in nature affect human health, the availability of resources and the Earth’s climate

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

Molecular Modeling of Geochemical Reactions An Introduction applies computational chemistry to geochemical problems

Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible

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.

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

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