Molecular Physical Chemistry

Más información sobre el libro

This physical chemistry textbook is designed for students with a passion for computers, providing both fundamental and advanced knowledge for those in their second year of chemistry master's studies and beyond. It covers seven chapters on thermodynamics, chemical kinetics, quantum mechanics, molecular structure, molecular symmetry, and crystals. A unique chapter focuses on water, analyzing both the water molecule and its behavior in condensed phases. Rather than a traditional top-down approach, the book emphasizes examples and the use of computer programs like Mathematica® and Gaussian. It discusses molecular orbital calculations on small molecules and references thermodynamic data from suitable works. Each chapter includes selected Mathematica® codes, explained and cross-referenced with the text, allowing students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices, and test physical models. Clear, step-by-step explanations and comprehensive answers to exercises foster an active learning environment, preparing students for future research projects. For those unfamiliar with Mathematica® or Gaussian, the book offers a valuable introduction to computer-based problem solving in molecular sciences. Learning goals are outlined at the beginning of each chapter, and a glossary at the end provides a quick reference for important terms.