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....
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin ; Boston
De Gruyter,
[2020]
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| Online Access: | EBSCOhost Перейти в каталог НБ ТГУ |
| Summary: | 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. |
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| Physical Description: | 1 online resource (xiii, 181 pages) illustrations (color, black and white) |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9783110631623 3110631628 9783110629927 3110629925 |