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  • Produktbild: Software Development in Chemistry 5
  • Produktbild: Software Development in Chemistry 5

Software Development in Chemistry 5 Proceedings of the 5th Workshop “Computers in Chemistry Oldenburg, November 21–23, 1990

Fr. 137.00

inkl. gesetzl. MwSt., Versandkostenfrei

Portrait

Bringing together scientists from the various disciplines of chemistry who are actively engaged in developing software and using computers to solve their problems was the main objective of the 5th workshop "Computers in Chemistry" (November 21-23, 1990) held in Oldenburg. Fields covered include molecular modelling, chemometrics, synthesis planning, computer science.

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

25.07.1991

Herausgeber

Jürgen Gmehling

Verlag

Springer Berlin

Seitenzahl

237

Maße (L/B/H)

24.2/17/1.5 cm

Gewicht

444 g

Auflage

Softcover reprint of the original 1st ed. 1991

Sprache

Englisch

ISBN

978-3-540-53532-4

Portrait

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

25.07.1991

Herausgeber

Jürgen Gmehling

Verlag

Springer Berlin

Seitenzahl

237

Maße (L/B/H)

24.2/17/1.5 cm

Gewicht

444 g

Auflage

Softcover reprint of the original 1st ed. 1991

Sprache

Englisch

ISBN

978-3-540-53532-4

Herstelleradresse

Springer-Verlag KG
Sachsenplatz 4-6
1201 Wien
AT

Email: GPSR Kontakt

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  • Produktbild: Software Development in Chemistry 5
  • Produktbild: Software Development in Chemistry 5
  • Computer Application in Chemical Engineering.- Development of Thermodynamic Models with a View to the Synthesis and Design of Separation Processes.- DDBPC: A Program System for the Management, Correlation and Calculation of Thermodynamic Properties of Pure Components and Mixtures.- BDBT-BPBP-BPPT — Integrated System for Data Handling.- Factual Databases.- CHEMINFORM — An Integrated Production Process for the Building of a Reaction Database and the Publishing of a Printed Abstracts Service.- CHEMSAFE — A Database for Safety Characteristic Data.- Structure and Properties.- Representation of Structure Description Arranged Linearly.- Synthesis Planning Based upon the Similarity of Chemical Structures.- Calculation of Heats of Formation for Organic Radicals and Cations.- Matching of 2D and 3D Structure Descriptions in the Cambridge Crystallographic Data Files: Outline of the Method and some Applications.- EVAL — A New Tool to Evaluate Topological Pharmacophores.- Prediction of Chemical Carcinogenicity.- Groups, Graphs and Isomers.- Chemometrics.- Development of Chemometric Detectors for Gas Chromatography/Mass Spectrometry by the Use of a Linear Mapping Method.- MULTIVAR, PLANEX, INTERLAB — From a Collection of Algorithms to an Expert System: Statistics Software Written from Chemists for Chemists.- Chemometry of Plasma Desorption Mass Spectrometry.- Optical Sensors — Do They Require a Computer?.- Validation by Automatisation: An Improved Method to Test Columns.- Classification of Mass Spectral Data Using Neural Networks.- Molecular Modelling.- Calculation of Molecular Structures on Distributed Computer Systems by Use of Quantum Chemical and Vibrational Spectroscopic Methods.- COSMOS- A PC-Program for Molecular Modelling, Crystallography and the Prediction of Molecular Properties.- Modelling of Physical and Chemical Processes of Polydisperse Aerosol Systems.- Fast Generation of 3D-Structures with the Program MOL-CAD.- Graphic Tools.- Visualization Programs for Ab Initio Calculations.- 3D-KALOTTE, Three-Dimensional Presentation of Molecular Models on IBM Compatible Computers.- The Beauty of the Graphical Structure Graph.- HPGL-LOOK 3.0 — A HPGL Interpreter for Computer Displays.