Advanced Scientific Computing in BASIC with Applications in Chemistry, Biology and PharmacologyThis book gives a practical introduction to numerical methods and presents BASIC subroutines for real-life computations in the areas of chemistry, biology, and pharmacology. The choice of BASIC as the programming language is motivated by its simplicity, its availability on all personal computers and by its power in data acquisition. While most of the scientific packages currently available in BASIC date back to the period of limited memory and speed, the subroutines presented here can handle a broad range of realistic problems with the power and sophistication needed by professionals and with simple, step-by-step instructions for students and beginners. Please note that a diskette containing the 37 program modules and 39 sample programs listed in the book is no longer available. The main task considered in the book is that of extracting useful information from measurements via modelling, simulation, and statistical data evaluations. Efficient and robust numerical methods have been chosen to solve related problems in numerical algebra, nonlinear equations and optimization, parameter estimation, signal processing, and differential equations. For each class of routines an introduction to the relevant theory and techniques is given, so that the reader will recognise and use the appropriate method for solving his or her particular problem. Simple examples illustrate the use and applicability of each method. |
Table des matières
1 | |
CHAPTER 2 NONLINEAR EQUATIONS AND EXTREMUM PROBLEMS | 69 |
CHAPTER 3 PARAMETER ESTIMATION | 139 |
CHAPTER 4 SIGNAL PROCESSING | 220 |
CHAPTER 5 DYNAMICAL MODELS | 261 |
319 | |
Autres éditions - Tout afficher
Advanced Scientific Computing in BASIC: With Applications in Chemistry ... Péter Valkó Affichage d'extraits - 1989 |
Expressions et termes fréquents
104 REM MERGE 106 REM DATA algorithm approximation array basis coefficients columns computed constraints convergence coordinates covariance matrix cubic defined denote dependent derivative diagonal differential equations eigenvalues eigenvectors equilibrium error-in-variables EVALUATION Example false position method Fourier transform function values golden section search GOSUB GOTO grid points hence i-th I=1 TO N I=1 TO NP independent variables initial interpolation interval inverse Jacobian matrix k₁ linear programming linear regression LPRINT LPRINT LU decomposition matrix equation minimization mole numbers Newton-Raphson method NUMBER OF ITERATIONS objective function observed obtain parameter estimation polynomial PRINCIPAL COMPONENT ANALYSIS problem procedure Program module reaction REM 102 REM REM EX REM FROM LINE REM INPUT REM OUTPUT residual right-hand side root SAMPLE POINTS Section simplex smoothing solve spline starting at line STATUS FLAG step subroutine SUM OF SQUARES Table variance vector weighting function yi+1 zero