Molecular Physics and Elements of Quantum Chemistry Handbook

"Over the span of two decades, molecular modeling has emerged as a viable and powerful approach to chemistry. This guide attempts to help chemists find that proper balance. It focuses on the underpinnings of molecular mechanics and quantum chemical methods, their relationship with "chemical observables", their performance in reproducing known quantities and on the application of practical models to the investigation of molecular structure and stability and chemical reactivity and selectivity. This handbook will be of valuable to students, researchers and scholars.