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: | |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Berlin ; Boston
De Gruyter
[2020]
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| Subjects: | |
| Online Access: | DE-1043 DE-1046 DE-858 DE-859 DE-860 DE-739 Volltext |
| 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 |
| Item Description: | Description based on online resource; title from PDF title page (publisher's Web site, viewed 26. Aug 2020) |
| Physical Description: | 1 Online-Ressource (XIII, 181 Seiten) |
| ISBN: | 9783110631623 9783110629927 |
| DOI: | 10.1515/9783110631623 |
Staff View
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| 520 | |a 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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| illustrated | Not Illustrated |
| index_date | 2024-07-03T15:19:55Z |
| indexdate | 2025-02-19T17:29:10Z |
| institution | BVB |
| isbn | 9783110631623 9783110629927 |
| language | English |
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| physical | 1 Online-Ressource (XIII, 181 Seiten) |
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| publishDate | 2020 |
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| spelling | Computational chemistry methods applications edited by Ponnadurai Ramasami Berlin ; Boston De Gruyter [2020] © 2020 1 Online-Ressource (XIII, 181 Seiten) txt rdacontent c rdamedia cr rdacarrier Description based on online resource; title from PDF title page (publisher's Web site, viewed 26. Aug 2020) 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 In English Ab-initio-Rechnung Computational Chemistry Modellierung SCIENCE / Chemistry / Computational & Molecular Modeling bisacsh Computational chemistry (DE-588)4290091-8 gnd rswk-swf Computational chemistry (DE-588)4290091-8 s DE-604 Ramasami, Ponnadurai 1969- (DE-588)118834997X edt Erscheint auch als Druck-Ausgabe 978-3-11-062906-4 https://doi.org/10.1515/9783110631623 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Computational chemistry methods applications Ab-initio-Rechnung Computational Chemistry Modellierung SCIENCE / Chemistry / Computational & Molecular Modeling bisacsh Computational chemistry (DE-588)4290091-8 gnd |
| subject_GND | (DE-588)4290091-8 |
| title | Computational chemistry methods applications |
| title_auth | Computational chemistry methods applications |
| title_exact_search | Computational chemistry methods applications |
| title_exact_search_txtP | Computational chemistry methods applications |
| title_full | Computational chemistry methods applications edited by Ponnadurai Ramasami |
| title_fullStr | Computational chemistry methods applications edited by Ponnadurai Ramasami |
| title_full_unstemmed | Computational chemistry methods applications edited by Ponnadurai Ramasami |
| title_short | Computational chemistry methods |
| title_sort | computational chemistry methods applications |
| title_sub | applications |
| topic | Ab-initio-Rechnung Computational Chemistry Modellierung SCIENCE / Chemistry / Computational & Molecular Modeling bisacsh Computational chemistry (DE-588)4290091-8 gnd |
| topic_facet | Ab-initio-Rechnung Computational Chemistry Modellierung SCIENCE / Chemistry / Computational & Molecular Modeling Computational chemistry |
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