Featuring electronic structure codes, this book illustrates theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce them using the accompany[...]
Particularly well-suited for students not pursuing a traditional chemistry curriculum, such as premedical and forensic science students, this book presents a stand-alone approach to teaching physical chemistry in a one-semester course, a current trend in undergraduate education. This new undergradua[...]