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  • Gebundenes Buch

This volume, similar to its previous volumes, features chapters by experts in various fields of computational chemistry. Volume 30 covers chemical bonding at high pressure, molecular dynamics simulations, basis sets in quantum chemistry, master equation approach, quantum chemistry of open-shell species, continuous symmetry measures, and machine learning. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." Journal of Molecular Graphics And Modelling "One cannot generally do better than to try…mehr

Produktbeschreibung
This volume, similar to its previous volumes, features chapters by experts in various fields of computational chemistry. Volume 30 covers chemical bonding at high pressure, molecular dynamics simulations, basis sets in quantum chemistry, master equation approach, quantum chemistry of open-shell species, continuous symmetry measures, and machine learning. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." Journal of Molecular Graphics And Modelling "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." Journal of The American Chemical Society
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Autorenporträt
ABBY L. PARRILL, Ph.D., is Professor of Chemistry in the Department of Chemistry at the University of Memphis, TN. Her research interests are in bioorganic chemistry, protein modeling and NMR Spectroscopy and rational ligand design and synthesis. In 2011, she was awarded the Distinguished Research Award by University of Memphis Alumni Association. She has given more than 100 presentations, and published more than 100 papers and books. KENNY B. LIPKOWITZ, Ph.D., was one of the founding Co-editors of Reviews in Computational Chemistry. He spent 28 years as an academician and then moved to Office of Naval Research, a Program Manager in Computer-Aided Materials Design.