Computer-based structure determination: Then and now
Computer-based structure determination: Then and now
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DOI：
10.1021/ci980083r
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发表时间：
1998-11-01
期刊：
影响因子：
--
通讯作者：
Munk, ME
中科院分区：
文献类型：
--
作者：
Munk, ME
结构解析的一种广泛实践的方法是基于未知结构的化合物的化学和/或光谱性质。随着光谱仪的功率和复杂性的提高，光谱数据承担了更重要的作用。随着需要处理的此类数据量的增加，人们自然会指望计算机来提高生产力。本文追溯了基于计算机的结构解析工具的发展。
A widely practiced approach to structure elucidation is based on the chemical and/or the spectral properties of the compound of unknown structure. As the power and sophistication of spectrometers improved, spectral data assumed a more central role. With increasing amounts of such data to process, it was natural to look to the computer to enhance productivity. This paper traces the development of computer-based tools for structure elucidation.