April 2014
Beginner to intermediate
830 pages
15h 21m
Chinese
Content preview from Mathematica 錦囊妙計
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508
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第十三章
13.2 使用化學線上資料庫
問題點
在進行運算的過程中，你需要使用化合物的相關資訊；或需要使用這些資訊製作教學用
途的圖表。[Page-510]
解決方案
ChemicalData
指令用來讀取化學線上資料庫，以常見名稱、PubChem 註冊序號、IUPAC
名稱或結構字串取出該化合物的資訊。
ch13.indd 508 2014/4/2 下午 02:30:54
13.2 使用化學線上資料庫
|
509
討論說明
資料庫提供的化合物屬性相當多，共有 101 項，以下範例隨機列出其中的 30 項。511
直至本書寫作時間，Mathematica 化學線上資料庫共提供超過 34,300 種化合物資訊，
可分成 67 種類別【譯註：本書翻譯時，資料庫共提供有 43,984 種化合物資訊，可分為
138 種類別】。
ch13.indd 509 2014/4/2 下午 02:30:54
510
|
第十三章
資料庫提供 6 種結構圖可作視覺化呈現，下列以你最喜歡的咖啡因為例。[Page-512]
ch13.indd ...
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