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.

Liliana Mammino is emeritus professor of the University of Venda, South Africa. She joined the university in 1997 and, alongside teaching a range of general and physical chemistry courses, has worked hard to establish and promote the development of computational chemistry research across the region. After graduating from the University of Pisa, Italy, she went on to receive her doctorate from Moscow State University, Russia, before going on to teach chemistry at the National University of Somalia, University of Zambia, and National University of Lesotho. Professor Mammino’s main research areas are computational theoretical chemistry and chemical education, with particular attention to green chemistry education, and she has published over 40 papers across these areas. She is a member of the IUPAC Subcommittee on Green Chemistry, national representative of South Africa in IUPAC Division III and, in 2013, she was one of the recipients of the IUPAC Award for Distinguished Women in Chemistry and Chemical Engineering.