Computational spectroscopy: methods, experiments and applications

Unique in its comprehensive coverage of not only theoretical methods but alsoapplications in computational spectroscopy, this ready reference and handbookcompiles 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 multitudeof apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusualmethodologies 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 INDICE: 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

• ISBN: 978-3-527-32649-5
• Editorial: Wiley-VCH
• Encuadernacion: Cartoné
• Páginas: 416
• Fecha Publicación: 27/10/2010
• Nº Volúmenes: 1
• Idioma: Inglés