Comprehensive Computational Chemistry stands as an authoritative publication, comprising over 150 chapters that encompass the entire spectrum of the field. It delves into the foundational principles of theoretical methods, the development of algorithms and software packages, and their extensive applications in various domains, including atmospheric chemistry, biochemistry, materials science, and medicinal chemistry.
Edited by a team of world-renowned scientists, this four-volume set covers everything from the theoretical foundations of quantum chemistry to the intricacies of modeling chemical reactions, exploring excited electronic states, and delving into the dynamics of molecular systems. It also sheds light on the critical role of computational chemistry in understanding and designing highly specific and efficient catalysts for various applications.
Whether you are entering the field, an accomplished scientist, or an ambitious undergraduate student, "Comprehensive Computational Chemistry" is an invaluable resource for navigating the ever-evolving landscape of computational chemistry.
Computational chemistry is a rapidly evolving discipline with growing relevance in various scientific domains. This groundbreaking reference resource is poised to shape the trajectory of the field and push its boundaries into uncharted territories.
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Illustrationen
Approx. 1500 illustrations (1500 in full color)
Maße
Höhe: 276 mm
Breite: 215 mm
ISBN-13
978-0-12-821978-2 (9780128219782)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Klassifikation
Biography of Russell J. Boyd Russell J. Boyd is Alexander McLeod Professor Emeritus at Dalhousie University. He graduated in 1967 with First-Class Honours and the Gold Medal in Chemistry from the University of British Columbia and upon receiving his PhD in 1971 in theoretical chemistry from McGill University, he went to Oxford University as an NRC postdoctoral fellow with Charles Coulson at the Mathematical Institute. In 2001 he became the seventh Alexander McLeod Professor of chemistry. He has published around 300 peer-reviewed papers and review chapters in computational and theoretical chemistry and is a member of the Scientific Board of the World Association of Theoretical and Computational Chemists and Chair of WATOC 2020. His awards include the fellowship and 2009 Montreal Medal of the Chemical Institute of Canada in recognition of his distinguished contributions to the profession of chemistry in Canada. His many professional activities include serving as editor for theoretical chemistry of the Canadian Journal of Chemistry from 1988 to 1998, president of the Canadian Society for Chemistry for 2007-08, and chair of The Chemical Institute of Canada for 2012-13. He was elected to the Bureau of the International Union of Pure and Applied Chemistry in 2013 and acted as the Section Editor for the Theoretical and Computational Chemistry section of the Elsevier Reference Module in Chemistry and Chemical Engineering.
Biography of Manuel Yanez Manuel Yanez got his B.Sc. in Chemistry (1st class honours) in 1970 at the Universidad de Santiago de Compostela in 1970 and his PhD (Special Prize to the best PhD. Thesis) at the Universidad Autonoma de Madrid in 1973.He was postdoc with John Pople (Noble Laureate in 1998) from 1974 to 1976 at Carnegie-Mellon University. Back in Spain he got in 1979 a tenure as Associate Professor and in 1983 as Full Professor of Physical Chemistry at the Universidad Autonoma de Madrid. He received several research awards, among them, the Award of the UAM Foundation in 1993, the Research award in Physical Chemistry of the Royal Spanish Society of Chemistry in 2001, the Bettancourt-Perronet Award from the Ministry of Education and Research of France in 2003 and the Award for a Distinguished Career from the Royal Spanish Society of Chemistry in 2018. He was appointed Academician of the Royal Academy of Exact, Physical and Natural Sciences (RACE) and was invested Doctor Honoris Causa by the University of the Basque Country. He was the Coordinator of a European Erasmus+ Master and of a European Joint Doctorate on Theoretical Chemistry and Computational Modelling. He is author of more than 500 papers and several book chapters as well as having been a long-standing co-Editor in Chief of the successful Elsevier Journal, Computational and Theoretical Chemistry and Editor in Chief of Anales de Quimica of the Spanish Royal Society of Chemistry (RSEQ).
Chefredakteur*in / Cheflektor*in
Alexander McLeod Professor Emeritus, Dalhousie University, Halifax, Canada
Professor Emeritus, Autonomous University of Madrid, Spain
Advanced Electronic Structure Methods and Multireference Methods edited by Krishnan Raghavachari (Indiana University, IN, United States
The Valence Bond and Alternative Viewpoints edited by Sason Shaik (The Hebrew University of Jerusalem, Israel) & Philippe Hiberty (Universite Paris-Saclay, France)
The Analysis of Chemical Bonding and the Interpretation of Wave Functions edited by Paul Popelier (University of Manchester, UK)
Clusters and Nanostructures edited by Eluvathingal D. Jemmis & R.S Swathi (Indian Institute of Science, India)
Relativistic Effects and the Chemistry of Heavy Elements edited by Kenneth Ruud (UiT The Arctic University of Norway, Norway)
Molecular Dynamics Simulations and Reaction Rates edited by Aatto Laaksonen and Francesca Mocci (Stockholm University, Sweden & Universita di Cagliari, Italy)
Excited States and Photodynamic Simulations from Photobiology to Photomaterials edited by Leticia Gonzalez (Universitaet Wien, Austria)
Molecular Interactions and Catalysis edited by Heather Kulik (MIT, United States)
