Computational Spectroscopy: Methods, Experiments and Applications

Computational Spectroscopy: Methods, Experiments and Applications

By: Jorg Grunenberg (editor)Hardback

Up to 2 WeeksUsually despatched within 2 weeks

Description

Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.

About Author

Jorg Grunenberg studied chemistry at the University Erlangen-Nurnberg. After his doctorate he moved to the Technische Universitat Braunschweig and is now head of the scientific computing section at the Institute of Organic Chemistry. His interests are the in silico prediction of molecular spectroscopic properties, the quantification of covalent and non-covalent interactions, and molecular recognition in general. He is author and co-author of more than 80 original papers and book chapters on computational chemistry.

Contents

NMR Spectroscopy ESR Spectroscopy IR Spectroscopy UV Spectroscopy, TDDFT THz Spectroscopy Parity Violation Vibrational CD Electronic CD Computational Spectroscopy in Inorganic Chemistry Computational Spectroscopy in Bioinorganic Chemistry Solid Water Clusters Small Water Clusters Calculation of Vibration-Rotation Spectra Computational Spectroscopy of Proteins Computational Spectroscopy of DNA NMR Spectroscopy ESR Spectroscopy IR Spectroscopy UV Spectroscopy, TDDFT THz Spectroscopy Parity Violation Vibrational CD Electronic CD Computational Spectroscopy in Inorganic Chemistry Computational Spectroscopy in Bioinorganic Chemistry Solid Water Clusters Small Water Clusters Calculation of Vibration-Rotation Spectra Computational Spectroscopy of Proteins Computational Spectroscopy of DNA

Product Details

  • ISBN13: 9783527326495
  • Format: Hardback
  • Number Of Pages: 432
  • ID: 9783527326495
  • weight: 1042
  • ISBN10: 3527326499

Delivery Information

  • Saver Delivery: Yes
  • 1st Class Delivery: Yes
  • Courier Delivery: Yes
  • Store Delivery: Yes

Prices are for internet purchases only. Prices and availability in WHSmith Stores may vary significantly

Close