Tunnelling in Molecules by Johannes Kastner- Bookswagon UAE
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Tunnelling in Molecules

Tunnelling in Molecules


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About the Book

The field of quantum tunnelling has been rapidly developing in the 21st century, yet there are no updated books on its applications in chemistry. Including theoretical and experimental chapters, from the physical and organic to the biochemistry fields, this new book provides a broad and conceptual perspective of the reactivity of molecules lead by quantum mechanical tunnelling.
About the Author:

Sebastian Kozuch got his licentiate in chemistry from the University of Buenos Aires, and his Ph.D. at the Hebrew University of Jerusalem under the supervision of Sason Shaik. He did postdocs at the Weizmann Institute of Sciences with Jan Martin and at the University of North Texas with Weston T. Borden. Since 2014 he is a professor at the Ben-Gurion University of the Negev. His theoretical interests cross over three main fields: (1) Catalysis, kinetics, organometallics, and everything in between, from where he developed the "Energy Span Model". (2) The chemical bond, especially the theory of hole interactions. (3) Quantum tunnelling, with a fascination for the chemistry of heavy atom tunnelling.

Johannes Kästner studied chemistry and got his doctorate in physics. After research stays at the Max Planck Institute for coal research with Walter Thiel and at Daresbury Laboratory, he became professor for computational chemistry at the University of Stuttgart, Germany. He developed methods for free-energy sampling, umbrella integration, and investigates biochemical processes by force field and QM/MM approaches. His main focus of research, however, is the calculation of tunnelling rate constants. He is the lead author of DL-FIND, a library to optimize molecular geometries and to calculate rate constants with transition state theory, the small-curvature tunnelling approximation and instanton theory. His developments broadened the scope of instanton theory to make it applicable to many chemical systems, so that it is nowadays used in diverse fields like biochemistry, catalysis, and astrochemistry.


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Product Details
  • ISBN-13: 9781788018708
  • Publisher: RSC Publishing
  • Publisher Imprint: Royal Society of Chemistry
  • Height: 236 mm
  • No of Pages: 436
  • Series Title: ISSN
  • Sub Title: Nuclear Quantum Effects from Bio to Physical Chemistry
  • Width: 157 mm
  • ISBN-10: 1788018702
  • Publisher Date: 30 Sep 2020
  • Binding: Hardback
  • Language: English
  • Returnable: Y
  • Spine Width: 30 mm
  • Weight: 897 gr


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