Overview
- Reviews modern quantum chemical approaches to difficult cases involving transition metal systems
- Helps readers to select suitable tools for computational modeling
- Provides a broad perspective on the interplay between electronic structure and chemical and physical properties of transition metal systems, and on the application of these systems in catalysis
- Covers state-of-the-art methodologies and recent applications
- Discusses synergies between, as well as strengths and weaknesses of, computational modeling and experimental techniques
Part of the book series: Challenges and Advances in Computational Chemistry and Physics (COCH, volume 29)
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Table of contents (17 chapters)
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Front Matter
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Back Matter
Keywords
- Transition metals complexes
- Transition metal catalysis
- Transition metals computational chemistry
- Transition metals coordination environments
- Transition metal catalysts
- Transition metals spectroscopy
- Transition metal clusters
- Transition metals
- Metalloenzymes
- Actinides
- Electrochemistry of coordination compounds
- Transition metals quantum chemistry
- Biomimetic complexes
- Transition metals DFT
- Density functional theory transition metals
- Reaction mechanisms
About this book
Editors and Affiliations
About the editors
Tomasz Borowski is a Full Professor at the Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences. His research interests encompass computational chemistry, biochemistry, reaction mechanisms, metalloenzymes, and protein structure and dynamics. Dr. Borowski has published more than 60 research papers in refereed journals as well as 3 book chapters.
Mariusz Radoń is an Assistant Professor at Jagiellonian University,Krakow, Poland. His primary research interest is in quantum chemistry, especially its applications to transition metal complexes and active sites of metalloproteins, with a focus on electronic structure, spin-state energetics, metal–ligand interactions and connections to catalytic activity. Dr. Radoń is the author of 30 publications, including 1 book chapter.
Bibliographic Information
Book Title: Transition Metals in Coordination Environments
Book Subtitle: Computational Chemistry and Catalysis Viewpoints
Editors: Ewa Broclawik, Tomasz Borowski, Mariusz Radoń
Series Title: Challenges and Advances in Computational Chemistry and Physics
DOI: https://doi.org/10.1007/978-3-030-11714-6
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Switzerland AG 2019
Hardcover ISBN: 978-3-030-11713-9Published: 27 March 2019
eBook ISBN: 978-3-030-11714-6Published: 16 March 2019
Series ISSN: 2542-4491
Series E-ISSN: 2542-4483
Edition Number: 1
Number of Pages: XV, 532
Number of Illustrations: 38 b/w illustrations, 171 illustrations in colour
Topics: Theoretical and Computational Chemistry, Catalysis, Physical Chemistry, Bioorganic Chemistry, Inorganic Chemistry