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Molecular Modeling of Geochemical Reactions

2016-07-22 Science
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Release : 2016-07-22
Genre : Science
Kind : eBook
Book Rating : 20X/5 ( reviews)

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Book Synopsis Molecular Modeling of Geochemical Reactions by : James D. Kubicki

Download or read book Molecular Modeling of Geochemical Reactions written by James D. Kubicki. This book was released on 2016-07-22. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Modeling of Geochemical Reactions

2016-06-20 Science
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Release : 2016-06-20
Genre : Science
Kind : eBook
Book Rating : 172/5 ( reviews)

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Book Synopsis Molecular Modeling of Geochemical Reactions by : James D. Kubicki

Download or read book Molecular Modeling of Geochemical Reactions written by James D. Kubicki. This book was released on 2016-06-20. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Modelling of Geochemical Reactions

2018-03-19
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Release : 2018-03-19
Genre :
Kind : eBook
Book Rating : 977/5 ( reviews)

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Book Synopsis Molecular Modelling of Geochemical Reactions by : Russell Duffy

Download or read book Molecular Modelling of Geochemical Reactions written by Russell Duffy. This book was released on 2018-03-19. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Geochemical and Biogeochemical Reaction Modeling

2010-12-09 Science
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Release : 2010-12-09
Genre : Science
Kind : eBook
Book Rating : 324/5 ( reviews)

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Book Synopsis Geochemical and Biogeochemical Reaction Modeling by : Craig M. Bethke

Download or read book Geochemical and Biogeochemical Reaction Modeling written by Craig M. Bethke. This book was released on 2010-12-09. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of reaction processes in the Earth's crust and on its surface, both in the laboratory and in the field. A clear exposition of the underlying equations and calculation techniques is balanced by a large number of fully worked examples. The book uses The Geochemist's Workbench® modeling software, developed by the author and already installed at over 1000 universities and research facilities worldwide. Since publication of the first edition, the field of reaction modeling has continued to grow and find increasingly broad application. In particular, the description of microbial activity, surface chemistry, and redox chemistry within reaction models has become broader and more rigorous. These areas are covered in detail in this new edition, which was originally published in 2007. This text is written for graduate students and academic researchers in the fields of geochemistry, environmental engineering, contaminant hydrology, geomicrobiology, and numerical modeling.

Geochemical Reaction Modeling

1996-05-09 Science
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Release : 1996-05-09
Genre : Science
Kind : eBook
Book Rating : 505/5 ( reviews)

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Book Synopsis Geochemical Reaction Modeling by : Craig M. Bethke

Download or read book Geochemical Reaction Modeling written by Craig M. Bethke. This book was released on 1996-05-09. Available in PDF, EPUB and Kindle. Book excerpt: Geochemical reaction modeling plays an increasingly vital role in several areas of geoscience, from environmental geochemistry and petroleum geology to the study of geothermal and hydrothermal fluids. This book provides an up-to-date overview of the use of numerical methods to model reaction processes in the Earth's crust and on its surface. Early chapters develop the theoretical foundations of the field, derive a set of governing equations, and show how numerical methods can be used to solve these equations. Other chapters discuss the distribution of species in natural waters; methods for computing activity coefficients in dilute solutions and in brines; the complexation of ions into mineral surfaces; the kinetics of precipitation and dissolution reactions; and the fractionation of stable isotopes. Later chapters provide a large number of fully worked calculation examples and case studies demonstrating the modeling techniques that can be applied to scientific and practical problems. Students in a variety of specialties from low-temperature geochemistry to groundwater hydrology will benefit from the wealth of information and practical applications this book has to offer.

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