Overview
- Offers a clear link between theory/abstract concepts and numerical practical results
- Introduces robust statistical modeling to predict molecular properties
- Demonstrates the high efficacy of LDMs in various practical applications of bench chemistry
Part of the book series: Lecture Notes in Chemistry (LNC, volume 112)
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Table of contents (11 chapters)
Keywords
About this book
Authors and Affiliations
About the authors
Ronald L. Cook is currently the CTO of Molecular Design Innovations, LLC., 754 S BraunSt, Lakewood CO USA (formerly a Principal Scientist TDA Research, Inc., in Golden, CO, USA). He obtained his B.A. in Chemistry from the University of North Colorado in 1977 and a Ph.D. in Organometallic Chemistry from Utah State University in 1983. In the years 1982-84, he worked as a Postdoc at the Ohio State University, before joining Eltron Research, Inc., as a Scientist/Research Manager. From 1992 to 2021, he was with TDA Research, Inc., as Principal Scientist. His current interest and research focus is on the development of novel descriptors from localization-delocalization matrices that can be used to develop predictive models for new materials and molecules. His achievements are documented in 21 patents, numerous original publications (57), and conference presentations. As Principal Scientist, Ronald Cook often leads in-house workshops on various topics, such as nanotechnology, nonlinear modeling, and data analysis and investing.
Paul W. Ayers is Professor at the Department of Chemistry & Chemical Biology, McMaster University, Canada. He received his B.S. in chemistry, mathematics, and physics from Lipscomb University (Nashville, Tennessee, USA) and a Ph.D. in Chemistry from the University of North Carolina at Chapel Hill (USA) in 2001 (with Robert Parr); he was then a National Institutes of Health postdoctoral fellow at Duke University (with Weitao Yang). Since 2002, he has been a faculty member at McMaster University, rising to full professor in 2013. His research interests in developing new mathematical and computational tools for describing and predicting chemical processes, especially chemical reactions, are documented in nearly 400 publications and have been the subject of more than 300 invited presentations. He co-founded the QC-Devs international consortium for free and open-source software.
Bibliographic Information
Book Title: Electron Localization-Delocalization Matrices
Authors: Chérif F. Matta, Paul W. Ayers, Ronald Cook
Series Title: Lecture Notes in Chemistry
DOI: https://doi.org/10.1007/978-3-031-51434-0
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Switzerland AG 2024
Hardcover ISBN: 978-3-031-51432-6Due: 03 June 2024
eBook ISBN: 978-3-031-51434-0Due: 03 June 2024
Series ISSN: 0342-4901
Series E-ISSN: 2192-6603
Edition Number: 1
Number of Pages: XIX, 222
Number of Illustrations: 22 b/w illustrations, 66 illustrations in colour
Topics: Theoretical and Computational Chemistry, Theoretical, Mathematical and Computational Physics, Computer Applications in Chemistry, Math. Applications in Chemistry, Applications of Mathematics, Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Sciences