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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| Other Authors | |
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| Format | Electronic eBook |
| Language | English |
| Published |
Berlin ; Boston :
De Gruyter,
[2020]
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| Subjects | |
| Online Access | Full text |
| ISBN | 9783110631623 3110631628 9783110629927 3110629925 9783110629064 3110629062 1523154233 9781523154234 |
| Physical Description | 1 online resource (xiii, 181 pages) : illustrations (color, black and white) |
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| 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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| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9783110631623 3110631628 9783110629927 3110629925 9783110629064 3110629062 1523154233 9781523154234 |
| Access: | Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty |
| Physical Description: | 1 online resource (xiii, 181 pages) : illustrations (color, black and white) |