This is the physical chemistry textbook for students with an affinity for computers It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters the book presents thermodynamics chemical kinetics quantum mechanics and molecular structure including an introduction to quantum chemical calculations molecular symmetry and crystals. The application of physicalchemical knowledge and problem solving is demonstrated in a chapter on water treating both the water molecule as well as water in condensed phases.Instead of a traditional textbook topdown approach this book presents the subjects on the basis of examples exploring and running computer programs Mathematica discussing the results of molecular orbital calculations performed using Gaussian on small molecules and turning to suitable reference works to obtain thermodynamic data.