Written by two leaders in the field with vast expertise in applied computational organic chemistry, this textbook provides those organic chemists unfamiliar with the topic with useful theoretical concepts and computational tools for predicting molecular structures and properties, as well as elucidating reaction mechanisms and analyzing spectra. Throughout the book the authors discuss case studies in order to illustrate key points and to emphasize the capabilities of computational chemistry to solve problems and questions posed by the experimental work. They also include a unique appendix on good practices in reporting computational results as well as commonly used notations and formats. Aimed at facilitating dialog between theoreticians and experimentalists, this is a valuable guide for graduates and researchers working in the field of organic chemistry, computational chemistry, physical chemistry, and medicinal chemistry as well as materials science.
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Product Details
Dimensions: 170 x 244mm
Publication Date: 05 Jun 2024
Publisher: Wiley-VCH Verlag GmbH
Publication City/Country: Germany
Language: English
ISBN13: 9783527339082
About Fernando P. CossioFP CossioKendall N. Houk
Fernando P. Cossio is a full professor of Organic Chemistry at the University of the Basque Country (UPV/EHU Spain) and at the Donostia International Physics Center in San Sebastian (Spain). He studied Chemistry at the Universidad de Zaragoza (Spain) and received his Ph.D. at UPV/EHU in 1986 with Prof. C. Palomo. He there became Associate Professor in 1988 and Full Professor in 2002. He has been the Dean of the UPV/EHU Faculty of Chemistry Vice-President for Research and International Relations at the same university (2001-2004) and President of the Executive Committee of Ikerbasque the Basque Foundation for Science (2009). He has authored ca. 200 papers books and book chapters as well as 14 patents. His research interests include pericyclic reactions C-C bond forming reactions unusual species or reaction conditions catalysis and medicinal chemistry. Kendall N. Houk is the Saul Winstein Chair in Organic Chemistry at the University of California Los Angeles (UCLA) since 2009. He received his Ph.D. at Harvard University USA working with Prof. R.B. Woodward. He taught at Louisiana State University and the University of Pittsburgh USA before moving to UCLA in 1986. From 1988-1990 he was Director of the Chemistry Division of the National Science Foundation. He was Chairman of the UCLA Department of Chemistry and Biochemistry from 1991-1994. He has won numerous awards such as ACS Arthur C. Cope Scholar Award the ACS James Flack Norris Award in Physical Organic Chemistry the Schrodinger Meal of the World Association of Theoretical and Computational Chemists (WATOC) and the ACS Award for Computers in Chemical and Pharmaceutical Sciences. He has been elected to the American Academy of Arts and Sciences the International Academy of Quantum Molecular Sciences and the National Academy of Sciences. He has published nearly 1000 articles. His research group is involved in the development of rules to understand reactivity computer modeling of complex organic reactions and experimental tests of the predictions of theory.