Questions in natural products synthesis research that can (and cannot) be answered using computational chemistry.

Questions in natural products synthesis research that can (and cannot) be answered using computational chemistry.
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DOI:
10.1039/c8cs00298c
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发表时间:
2018-10-29
影响因子:
46.2
通讯作者:
Tantillo DJ
Tantillo DJ
中科院分区:
化学1区
文献类型:
--
作者:
Tantillo DJ

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描述了与天然产物合成领域工作人员相关的问题,这些问题可以使用计算化学方法至少部分地得到解答。提供了说明性示例以及限制的描述。强调了与合成化学家相关的问题,这些问题可以至少部分地使用量子化学计算得到解答。
Questions of relevance to those working in the field of natural products synthesis that can be answered, at least in part, using computational chemistry approaches are described. Illustrative examples are provided, as are descriptions of limitations. Questions of relevance to synthetic chemists that can be answered, at least in part, using quantum chemical computations are highlighted.
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