Jurs, Peter C.
Computer Software Applications in Chemistry
  2. Auflage - Februar 1996
109,- Euro
1996. XII, 292 Seiten, Hardcover
ISBN-10: 0-471-10587-2
ISBN-13: 978-0-471-10587-9 - John Wiley & Sons
Preis inkl. Mehrwertsteuer zzgl. Versandkosten.
Langtext
Intended specifically for practicing professionals and advanced students in chemistry and biochemistry, this invaluable book covers the full range of the computer applications in these fields, including numerical, nonnumerical, and graphics applications. New material includes multiple linear regression using MREG, principal-components analysis, Monte Carlo integration, parameterization of the force field, and molecular modeling software.
Major areas covered include:
* 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 and of Molecules
Whatever your area of research, this comprehensive, lucidly written book offers an indispensable resource of computer applications that will facilitate your work.
Aus dem Inhalt
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.
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