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Calculational methods covered include those of integrating systems of differential equations, solving systems of nondifferential equations, data fitting, two- and three-dimensional plotting, matrix manipulations, Fourier transforms etc. In the first chapter, entitled ``Preliminaries'', the concepts of errors, uncertainties, propagation of uncertainty in ordinary computations are treated. Some aspects of equation solving problems are also discussed and applied to a selection of gas laws. The technique of least squares (regression) analysis is applied to the problem arising from interpretation of experimental data by fitting data sets to empirical equations. The corresponding computer programs are introduced. Chapter 2 ``Chemical thermodynamics in theory'' considers the problem for calculation of reaction enthalpies, entropies and Gibbs energies at high temperatures (Section 2.1). Methods for calculating the above characteristics as well as compressibility factors and fugacities for gaseous components at high temperatures and high pressures are given in Section 2.2. All approaches are demonstrated by the respective computer programs. Further programs show how to calculate absolute molar entropies with calorimetric data and Debye's theory (Section 2.3) and partial molar quantities. Chemical potential theory, ideal and nonideal solution behavior of electrolytes and nonelectrolytes as well as equilibrium theory are reviewed and illustrated with programs in this chapter, too. Chapter 3 ``Chemical thermodynamics in use'' shows how geochemists, biochemists and plain chemists apply the theory to their particular applications. Chapter 4 is devoted to quantum theory. Numerical methods for solving the Schr\u00f6dinger equation are introduced and the corresponding \\textit{Mathematica} programs are demonstrated. The following topics are also included: atomic and molecular orbital approximation, hierarchies of different kinds of atomic and molecular motion and energy levels. Chapter 5 illustrates by computer programs data processing in spectroscopy. Rotational, rotational-vibrational, vibrational-electronic and rotational-vibrational-electronic spectra, and spin resonance spectra are considered. Different Fourier-transform techniques for analyzing spectrometer data are presented, too. Chapter 6 ``Solids, liquids and surfaces'' presents \\(X\\)-ray diffraction methods for studying the cristalline solid state and for utilizing electron beams. Electrical properties of solids are also considered and a program for calculation of concentrations of current carriers in semiconductors is introduced. Further a collection of QuickBASIC programs shows how molecular dynamics and Monte Carlo methods are applied to the determination of liquid structures. Finally electrical properties of solid surfaces and surface crystallography are emphasized. Chapter 7 is devoted to macromolecules. Three different approaches in macromolecule structure are demonstrated by computer programs. First the random coil model is used and dimensions are calculated by means of statistical formulas. The ellipsoid model is applied to determination of a macromolecule's shape and dimensions; thereby the calculations are based on measurements of diffusion coefficients. The second approach, based on viscometry data, relies on the ellipsoid model too and leads to similar results. A third method pictures the macromolecules as a light-scattering particle. Light-scattering measurements supply data on size and shape of the macromolecules. Chapter 8 focuses on the bridge between thermodynamics and quantum theory erected by the methods of statistical thermodynamics. A review of general methods, concluding with statistical equations for calculation of internal energy and entropy is given. The basic tools in the statistical calculation, called partition functions, are introduced. It is demonstrated for an ideal gas model that all of the thermodynamics states can be computed from molecular partition functions and spectroscopic data. The chapter closes with an account of the Pauli principle and subtleties of nuclear spin statistics applied to hydrogen and deuterium. The topic of the last three chapters is kinetics. Recently this subject is divided in two subtopics, into physical kinetics and chemical kinetics. Chapter 9 is devoted to physical kinetics. Two programs demonstrate the advantages of statistical analysis introduced by Maxwell for calculating the distribution of molecular speeds as a function of molar mass and temperature. Two other programs illustrate the progress of diffusion from plane and step sources. The last topic is ions in motion and the calculation of limiting molar conductivities. ``Chemical kinetics in use'' is the title of Chapter 10. The strategy of modeling of chemical and biological processes is sketched in the beginning. The kinetic analysis is applied to reacting systems approaching equilibrium and steady-state conditions and to more complicated reaction schemes, such as catalytic and biochemical cycles, branching reactions, polymerization reactions. Two programs demonstrate examples from biological and biophysical kinetics. Chapter 11 focuses on theoretical aspects of the chemical kinetics. Eyring's statistical method for estimating rate constants is sketched and implemented for unimolecular and bimolecular reactions in two computer programs. Some examples for unstable steady-states are discussed and illustrated with respective programs. Finally, stochastic rate equations are examined and applied to large and small reaction systems. 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