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OverviewA comprehensive review of molecular symmetry topics, presenting their practical applications in the context of computational quantum chemistry This book explores the various symmetries that appear in calculations of molecular electronic structures and properties and how they can be used to both analyze results and simplify calculations. Aspects of computer implementation are discussed, with particular reference to the cost benefits of utilizing symmetry. Overall, the target of this book is the intersection of symmetry and molecular electronic structure. The highly qualified author uses simple language and a clear and logical layout of topics to make the book relevant to all involved in the field of computational chemistry. Content is also cross-referenced, resulting in a cohesive and guided approach throughout. Sample topics covered in the book include: How the use of various molecular symmetries can reduce the cost of calculations as well as ensure that the computed results correspond to a particular quantum state of interest How the user can use molecular symmetry in a paper-and-pencil context to design calculations How modern computer programs implement internally the use of symmetry The many modern practical applications of molecular symmetry Graduate students, postdocs, and other researchers in computational quantum chemistry can use this book as a complete resource to understand how molecular symmetry intersects with their chosen disciplines. Full Product DetailsAuthor: Peter R. TaylorPublisher: John Wiley & Sons Inc Imprint: John Wiley & Sons Inc ISBN: 9781119472599ISBN 10: 1119472598 Pages: 232 Publication Date: 25 July 2024 Audience: Professional and scholarly , Professional & Vocational Format: Hardback Publisher's Status: Active Availability: In Print This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us. Table of ContentsReviewsAuthor InformationPeter R. Taylor completed his university studies in Sydney. He has held positions in academia, government and industry and is currently Professor of Chemistry and Vice-dean for Information Technology in the School of Pharmaceutical Science and Technology at Tianjin University. Tab Content 6Author Website:Countries AvailableAll regions |