Computer Software Applications in Chemistry

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

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.

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.

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.

The Used, Rental and eBook copies of this book are not guaranteed to include any supplemental materials. Typically, only the book itself is included. This is true even if the title states it includes any access cards, study guides, lab manuals, CDs, etc.

FREE SHIPPING

Rent More, Save More! Use code: BBRENTAL

5% off 1 book, 7% off 2 books, 10% off 3+ books

Computer Software Applications in Chemistry

Summary

Author Biography

Table of Contents

Supplemental Materials