Advanced Computational Chemistry Lecture notes

Overview & Synopsis

Authored by
Ryan J. Yoder, The Ohio State University; this is a PDF which explores
applications of computational chemistry to challenging problems including
chemical warfare and renewable energy. It outlines novel strategies which
quinone methide precursors function as therapies and molecular baskets as
bioscavengers of nerve agents. In addition, the book explores how to design
iridium-based catalysts for the dehydrogenation of fatty acids and gives an
overview of how computational chemistry intersects with more down-to-earth
applications concerning health and environmental sustainability. To this end, it
outlines the directions for future research; hence, it is a must-read for those
interested in applied chemistry.