Computational Organic Chemistry

Computational methods play a crucial role in modern chemistry, providing both fundamental theoretical insights as well as supporting the interpretation of experimental data. This interplay between theory and experiment is vital. Theory helps experimental chemists to understand their results and in return experimental results provide data that helps validate and develop theoretical methods. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. This book is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. It is a practical, easily accessible guide for students, teachers and bench-top chemists’ focussing on accurately applying computational chemistry techniques to everyday chemistry problems.