Computational Chemistry Methods
Applications
Computational Chemistry Methods
Applications
This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.
Ramasami, Ponnadurai
| ISBN | 9783110629064 |
|---|---|
| Article number | 9783110629064 |
| Media type | Book |
| Copyright year | 2020 |
| Publisher | De Gruyter |
| Length | XIII, 181 pages |
| Illustrations | 30 b/w and 70 col. ill., 30 b/w tbl. |
| Language | English |
