This book is devoted to the most significant methodological contributions in the field of computational spectroscopy, and to the computation of IR, UV-VIS,NMR and EPR spectral parameters with reference to the underlying vibronic andenvironmental effects. The book provides an overview covering a large interval of the electromagnetic spectrum, ranging from radiofrequencies to soft X-rays. The three sections of the book are devoted to small molecules, large systems, and additional effects beyond the stereo-electronic ones, namely relativistic contributions, vibronic couplings, and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields and with a chapter (coordinated by the editor) providing the general theoretical background. Next, a complete picture of the various spectroscopies is provided by means of dedicated chapters written by experts in the field.
- ISBN: 978-0-470-47017-6
- Editorial: John Wiley & Sons
- Encuadernacion: Cartoné
- Páginas: 500
- Fecha Publicación: 20/08/2010
- Nº Volúmenes: 1
- Idioma: Inglés