Green Chemistry and Computational Chemistry

Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices.Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice.

• Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry
• Supports readers in easily selecting the most appropriate path through the book for their own needs
• Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches

Contenu

1. An introduction to theoretical chemistry, green and sustainable chemistry, and the intersection of the two
   
   2. Current approaches of theoretical chemists to address green and sustainable chemistry issues
   3. Current approaches by green chemists employing theoretical chemists to help in developing greener processes
   4. Future possibilities, problems that theoretical chemistry could help address, and developments that may be needed to encourage more progress
   5. Case studies in theoretical chemistry for sustainability