Molecular Modeling of Geochemical Reactions : An Introduction.

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Tác giả: James D Kubicki

Ngôn ngữ: eng

Ký hiệu phân loại: 551.9 Geochemistry

Thông tin xuất bản:

Mô tả vật lý: 440 p. , 24.700 x 019.200 cm.

Bộ sưu tập: Khoa học tự nhiên

ID: 274824

Annotation 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.
- Chapter s 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.
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