Computational Spectroscopy. Methods, Experiments and Applications

  • ID: 2180016
  • Book
  • 432 Pages
  • John Wiley and Sons Ltd
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Accurate prediction of spectroscopic properties of single molecules, molecular clusters or the solid state in combination with detailed information from apparatus–based experiments are currently paving the way to a promising revolution in the borderland between theory and experiment, namely computational spectroscopy. Though, at first sight, the term seems to contradict itself, the rapid developments in this field are opening up the study of increasingly large and chemically complex systems. At the same time, experimental molecular spectroscopy is an extremely active and fast–developing area that is heading towards the possibility of performing precise measurements on single molecules.

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.

This book is a must–have for Spectroscopists, Theoretical Chemists, Libraries, and Physical Chemists wanting to catch up with the state–of–the–art in Computational Spectroscopy.

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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

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Jörg Grunenberg
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