Computer Software Applications in Chemistry

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Product Description

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…