Computers in Chemical Education and Research
Published on 26. July 2012
Book
Paperback/Softback
XI, 476 pages
978-1-4684-2408-9 (ISBN)
Description
The impact of computers on all rea1ms of Chemistry has been one of the most important factors in the deve10pment of this science during the last years. In recognition of this fact, in 1971, the "First International Conference on Computers in Chemi- ca1 Research and Education" , was held at DeKa1b, I11inois, USA. A second Conference took p1ace in Ljub1jana, Yugos1avia in 1973 and this third Conference in Caracas, Venezuela, in 1976. The aim of these conferences was to provide a high level forum for the 1eading researchers to exchange information at the frontiers of present day computer app1ications to the different fie1ds of Chemistry. The present "Third International Conference on Computers in Chemica1 Research, Education and Techno10gy", whose proceedings are pub1ished in the present vo1ume, was conceived, by means of aseries of invited 1ectures, as a survey of the present-date state of the art in some of the most relevant areas of computer app1ications in Chemistry.
More details
Edition
Softcover reprint of the original 1st ed. 1977
Language
English
Place of publication
New York
United States
Target group
Professional and scholarly
Research
Illustrations
XI, 476 p.
Dimensions
Height: 254 mm
Width: 178 mm
Thickness: 27 mm
Weight
916 gr
ISBN-13
978-1-4684-2408-9 (9781468424089)
DOI
10.1007/978-1-4684-2406-5
Other editions
Additional editions
E-Book
03/2013
Springer
€53.49
Available for download
Eduardo V. Ludena
Computers in Chemical Education and Research
Book
09/1977
Kluwer Academic/Plenum Publishers
€109.13
Article exhausted; check different version
Content
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.