Problem Solving in Computational Molecular Science: Molecules in Different Environments
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Dordrecht
Springer Netherlands
1997
|
| Schriftenreihe: | NATO ASI Series, Advanced Science Institutes Series
500 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as 'standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them. This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained |
| Beschreibung: | 1 Online-Ressource (IX, 416 p) |
| ISBN: | 9789400900394 9789401065061 |
| ISSN: | 1389-2185 |
| DOI: | 10.1007/978-94-009-0039-4 |
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Datensatz im Suchindex
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| author | Wilson, S. |
| author_facet | Wilson, S. |
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| dewey-full | 541 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541 |
| dewey-search | 541 |
| dewey-sort | 3541 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik |
| doi_str_mv | 10.1007/978-94-009-0039-4 |
| format | Electronic eBook |
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| indexdate | 2024-07-10T01:20:56Z |
| institution | BVB |
| isbn | 9789400900394 9789401065061 |
| issn | 1389-2185 |
| language | English |
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| spelling | Wilson, S. Verfasser aut Problem Solving in Computational Molecular Science Molecules in Different Environments edited by S. Wilson, G. H. F. Diercksen Proceedings of the NATO Advanced Study Institute, Bad Winsheim, Germany, 12-22 August 1996 Dordrecht Springer Netherlands 1997 1 Online-Ressource (IX, 416 p) txt rdacontent c rdamedia cr rdacarrier NATO ASI Series, Advanced Science Institutes Series 500 1389-2185 For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as 'standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them. This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained Chemistry Chemistry, Physical organic Physical Chemistry Atomic, Molecular, Optical and Plasma Physics Condensed Matter Physics Chemie 1\p (DE-588)1071861417 Konferenzschrift gnd-content Diercksen, G. H. F. Sonstige oth https://doi.org/10.1007/978-94-009-0039-4 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Wilson, S. Problem Solving in Computational Molecular Science Molecules in Different Environments Chemistry Chemistry, Physical organic Physical Chemistry Atomic, Molecular, Optical and Plasma Physics Condensed Matter Physics Chemie |
| subject_GND | (DE-588)1071861417 |
| title | Problem Solving in Computational Molecular Science Molecules in Different Environments |
| title_alt | Proceedings of the NATO Advanced Study Institute, Bad Winsheim, Germany, 12-22 August 1996 |
| title_auth | Problem Solving in Computational Molecular Science Molecules in Different Environments |
| title_exact_search | Problem Solving in Computational Molecular Science Molecules in Different Environments |
| title_full | Problem Solving in Computational Molecular Science Molecules in Different Environments edited by S. Wilson, G. H. F. Diercksen |
| title_fullStr | Problem Solving in Computational Molecular Science Molecules in Different Environments edited by S. Wilson, G. H. F. Diercksen |
| title_full_unstemmed | Problem Solving in Computational Molecular Science Molecules in Different Environments edited by S. Wilson, G. H. F. Diercksen |
| title_short | Problem Solving in Computational Molecular Science |
| title_sort | problem solving in computational molecular science molecules in different environments |
| title_sub | Molecules in Different Environments |
| topic | Chemistry Chemistry, Physical organic Physical Chemistry Atomic, Molecular, Optical and Plasma Physics Condensed Matter Physics Chemie |
| topic_facet | Chemistry Chemistry, Physical organic Physical Chemistry Atomic, Molecular, Optical and Plasma Physics Condensed Matter Physics Chemie Konferenzschrift |
| url | https://doi.org/10.1007/978-94-009-0039-4 |
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