Computers in chemical education and research
著者
書誌事項
Computers in chemical education and research
Plenum Press, c1977
大学図書館所蔵 全9件
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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