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9780471105879

Computer Software Applications in Chemistry

by
  • ISBN13:

    9780471105879

  • ISBN10:

    0471105872

  • Edition: 2nd
  • Format: Hardcover
  • Copyright: 1996-02-02
  • Publisher: Wiley-Interscience

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Supplemental Materials

What is included with this book?

Summary

Whatever your area of research, this comprehensive, lucidly written book offers an indispensable resource of computer applications that will facilitate your work.

Author Biography

PETER C. JURS is Professor of Chemistry at the Pennsylvania State University and the author of Basic Programming for Chemists: An Introduction, also published by Wiley.

Table of Contents

Error, Statistics, and the Floating-Point Number System.
Curve Fitting.
Multiple Linear Regression Analysis.
Numerical Integration.
Numerical Solution of Differential Equations.
Matrix Methods and Linear Equation Systems.
Random Numbers and Monte Carlo Simulation.
Simplex Optimization.
Chemical Structure Information Handling.
Mathematical Graph Theory.
Substructure Searching.
Molecular Mechanics and Molecular Dynamics.
Pattern Recognition.
Artificial Intelligence and Expert Systems.
Spectroscopic Library Searching and Structure Elucidation.
Graphical Display of Data.
Graphical Display of Molecules.
Index.

Supplemental Materials

What is included with this book?

The New copy of this book will include any supplemental materials advertised. Please check the title of the book to determine if it should include any access cards, study guides, lab manuals, CDs, etc.

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