| 書目名稱 | Problem Solving in Computational Molecular Science |
| 副標(biāo)題 | Molecules in Differe |
| 編輯 | S. Wilson,G. H. F. Diercksen |
| 視頻video | http://file.papertrans.cn/758/757074/757074.mp4 |
| 叢書名稱 | Nato Science Series C: |
| 圖書封面 |  |
| 描述 | For all practical purposes the basic physical equationsgoverning the behaviour of a system at the molecular level can only besolved approximately. The key issue in any reliable and accuratecomputational study in molecular physics and quantum chemistry is theadoption of a suitable model which contains the essential physics andchemistry, is computationally tractable, and preferably amenable tosystematic refinement. The provision of advice on the choice of anappropriate model for a specific problem has so far received scantattention. This issue is becoming acute as `standard‘ softwarepackages are becoming widely available and are being increasinglyheavily used in both the academic and industrial sectors byresearchers who have received no special training in the theoreticalphysics and chemistry that underpins them. .This volume provides researchers whose background may not be in thecomputational molecular sciences with the necessary background to makeintelligent use of the methods available by performing reliablecalculations of appropriate accuracy and making a consideredinterpretation of the data so obtained. |
| 出版日期 | Book 1997 |
| 關(guān)鍵詞 | catalysis; chemistry; molecular physics; molecule; quantum chemistry; spectra; spectroscopy; structure |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-94-009-0039-4 |
| isbn_softcover | 978-94-010-6506-1 |
| isbn_ebook | 978-94-009-0039-4Series ISSN 1389-2185 |
| issn_series | 1389-2185 |
| copyright | Kluwer Academic Publishers 1997 |
|Archiver|手機(jī)版|小黑屋|
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