Physical chemistry requires extensive problem-solving and lengthy calculations. This book brings the computational power and elegance of Mathematica to physical chemistry courses. The book is organized along the lines of most modern physical chemistry textbooks. It discusses the kinds of problems encountered in each area of physical chemistry, and includes worked examples. An appendix outlines the calculations that are important in physical chemistry and demonstrates how they are handled in Mathematica code. The book is an ideal complement to any physical chemistry text and will be welcomed by students and instructors alike. Mathematical Computer Programs For Physical Chemistry Discusses The Kinds Of Problems Encountered In Each Area Of Physical Chemistry, And Includes Many Worked Examples And Exercises. An Appendix Outlines The Calculations That Are Important In Physical Chemistry And Demonstrates How They Are Handled In Mathematica Code. The Cd Accompanying The Book Includes 140 Mathematica Programs That Allow The Student To Perform Vital Calculations Based On Solving Systems Of Differential And Nondifferential Equations, Data Fitting, Two- And Three-dimensional Plotting, Contour Drawing, Matrix Manipulations, Fourier Transforms, And Simulations.--jacket. 1. Preliminaries -- 2. Chemical Thermodynamics In Theory -- 3. Chemical Thermodynamics In Use -- 4. Quantum Theory -- 5. Spectroscopy -- 6. Solids, Liquids, And Surfaces -- 7. Macromolecules -- 8. Statistical Thermodynamics -- 9. Physical Kinetics -- 10. Chemical Kinetics In Use -- 11. Chemical Kinetics In Theory -- App. A. List Of The Program And Data Files On The Disk -- App. B. Mathematica And Physical Chemistry -- App. C. References. William H. Cropper. Includes Bibliographical References (p. 237-239) And Index. Physical chemistry is a quantitative subject that requires extensive problem solving and lengthy calculations. This book/CD set brings the computational power of Mathematica to this discipline. It discusses different kinds of problems encountered in various areas of physical chemistry and includes many worked examples and problems. The CD includes over 150 Mathematica programs which allow students and researchers to perform vital calculations, contour drawings, and simulations. 12 illus. Front Matter....Pages i-xi Preliminaries....Pages 1-13 Chemical Thermodynamics in Theory....Pages 14-42 Chemical Thermodynamics in Use....Pages 43-68 Quantum Theory....Pages 69-90 Spectroscopy....Pages 91-106 Solids, Liquids, and Surfaces....Pages 107-122 Macromolecules....Pages 123-138 Statistical Thermodynamics....Pages 139-157 Physical Kinetics....Pages 158-170 Chemical Kinetics in Use....Pages 171-191 Chemical Kinetics in Theory....Pages 192-220 Back Matter....Pages 221-246 Bringing the computational power and elegance of Mathematica to physical chemistry courses, this book is organized along the lines of most modern textbooks. It discusses the kinds of problems encountered in each area of physical chemistry, together with worked examples. An appendix outlines the important calculations in physical chemistry and demonstrates how to handle them in Mathematica code.
