Computers in chemical education and research
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書誌事項
Computers in chemical education and research
Plenum Press, c1977
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注記
"Proceedings of the Third International Conference on Computers in Chemical Research, Education , and Technology held at the Center for Advanced Studies, IVIC, Caracas, Venezuela July 25-31,1976" -- T. p. verso
Proceedings of the 3d of a series of meetings: proceedings of the 2nd(1973)are entered under title: Computers in chemical research and education
Includes bibliographical references and index
内容説明・目次
目次
Mapping of Chemical Data Bases Using a Relational Data Base Structure.- Computer Aided Design of Experiments and Automatic Data Processing.- Computer Based Teaching of Chemistry.- Computer Enhanced Chemical Education: Any Computer Can Be Used.- The Effective Use of Non-Tutorial Computer Methods in Chemistry Education.- The Computer's Role in Undergraduate Chemistry Education: Report on a Study for UNESCO.- Automation in an Industrial Research Laboratory.- Current Research and Development in Computer-Aided Process Design.- Theoretical Studies of Metal Clusters as Models for Surface Phenomena.- Semi-Empirical Molecular Orbital Calculations Relevant to Adsorption and Catalysis On Metal Surfaces.- Comparison of Different Theoretical Approaches in the Study of Chemisorption On Metal Sources.- Cluster Method Multiple Scattering Calculations of Electronic Density of States for Amorphous and Liquid Metallic Alloys.- Description of Rapid Rearrangements With the Aid of Longuet-Higgins Group Theory. Spectroscopy and Reaction Mechanisms.- The Study of Chemical Structure and Reactivity By Means of Computations.- Computer Determination of Molecular Properties for Diatomics.- Computers as an Aid in Organic Synthesis Design.- Chemistry of Large Molecular Systems Using Molecular Quantum Mechanics.- Computer Planning of Research in Organic Chemistry.- Computer Aided Interpretation for the Structure Elucidation of Organic Compounds.- Computer Assisted Chemical Reasoning.- Dynamics of Chemisorption and Heterogeneous Reactions.- Quantum Chemistry and Small Molecule Dynamics.- List of Contributors.
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