Computational Spectroscopy: Methods, Experiments and Applications
| Author | : | |
| Rating | : | 4.83 (805 Votes) |
| Asin | : | 3527326499 |
| Format Type | : | paperback |
| Number of Pages | : | 432 Pages |
| Publish Date | : | 2015-11-06 |
| Language | : | English |
DESCRIPTION:
His interests are the in silico prediction of molecular spectroscopic properties, the quantification of covalent and non-covalent interactions, and molecular recognition in general. After his doctorate he moved to the Technische Universit?t Braunschweig and is now head of the scientific computing section at the Institute of Organic Chemistry. He is author and co-author of more than 80 original papers and book chapters on
Molecular spectroscopy by computer This book edited by Grunenberg is a testimony of the happy marriage between computational quantum chemistry and molecular spectroscopy. It contains 13 chapters each dedicated to the simulation (or computation) of different spectra: NMR and EPR spectroscopy, vibrational (IR and Raman) spectroscopy, UV-visible spectroscopy, vibrational and electronic circular dichroism (VCD and ECD) for the study of chiral molecules, and much more. Of particular interest (for me) are the final three chapters dedicated to environmental applications, the characterization of new species, and molecular astrophysics. The breadth of topics cove
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.. 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. Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and ha
"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." (Live-PR (EN), 15 February 2011)