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Computers in Chemical Education and Research

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Cover of 'Computers in Chemical Education and Research'

Table of Contents

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    Book Overview
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    Chapter 1 Mapping of Chemical Data Bases Using a Relational Data Base Structure
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    Chapter 2 Computer Aided Design of Experiments and Automatic Data Processing
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    Chapter 3 Computer-Based Teaching of Chemistry
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    Chapter 4 Computer Enhanced Chemical Education: Any Computer Can be Used
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    Chapter 5 The Effective Use of Non-Tutorial Computer Methods in Chemistry Education
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    Chapter 6 The Computer’s Role in Undergraduate Chemistry Education: Report on a Study for UNESCO
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    Chapter 7 Automation in an Industrial Research Laboratory
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    Chapter 8 Current Research and Development in Computer-Aided Process Design
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    Chapter 9 Theoretical Studies of Metal Clusters as Models for Surface Phenomena
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    Chapter 10 Semi-Empirical Molecular Orbital Calculations Relevant to Adsorption and Catalysis on Metal Surfaces
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    Chapter 11 Comparison of Different Theoretical Approaches in the Study of Chemisorption on Metal Sources
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    Chapter 12 Cluster Method Multiple Scattering Calculations of Electronic Density of States of Amorphous and Liquid Metallic Alloys
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    Chapter 13 Description of Rapid Rearrangements with the Aid of Longuet-Higgins Group Theory. Spectroscopy and Reaction Mechanisms
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    Chapter 14 The Study of Chemical Structure and Reactivity by Means of Computations
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    Chapter 15 Computer Determination of Molecular Properties for Diatomics
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    Chapter 16 Computers as an Aid in Organic Synthesis Design
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    Chapter 17 Chemistry of Large Molecular Systems Using Molecular Quantum Mechanics
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    Chapter 18 Computer Planning of Research in Organic Chemistry
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    Chapter 19 Computer Aided Interpretation of Spectroscopic Data for the Structure Elucidation of Organic Compounds
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    Chapter 20 Computer Assisted Chemical Reasoning
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    Chapter 21 Dynamics of Chemisorption and Heterogeneous Reactions
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    Chapter 22 Quantum Chemistry and Small Molecule Dynamics
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Title
Computers in Chemical Education and Research
Published by
Springer Science & Business Media, March 2013
DOI 10.1007/978-1-4684-2406-5
ISBNs
978-1-4684-2406-5, 978-1-4684-2408-9
Editors

Ludeña, Eduardo V., Sabelli, Nora H., Wahl, Arnold C.

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