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.
- ISBN10 3110629925
- ISBN13 9783110629927
- Publish Date 10 August 2020
- Publish Status Active
- Imprint de Gruyter
- Format eBook
- Pages 194
- Language English