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5. Dissection of H-bonding interactions in glycolic acid-water dimer

Dissection of H-bonding interactions in glycolic acid-water dimer

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：qqifha

【摘 要】

：

The hydrogen bonding interactions in a series of glycolic acid-small molecule complexes were studied by the generalized Kohn-Sham energy decomposition analysis(GKS-EDA).

【作 者】

：

Dan Shen Quanli Gu Peifeng Su Wei Wu 

【机 构】

：

The State Key Laboratory of Physical Chemistry of Solid Surfaces,Fujian Provincial Key Laboratory of

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

anti-cooperativity cooperativity energy decomposition analysis 

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　　The hydrogen bonding interactions in a series of glycolic acid-small molecule complexes were studied by the generalized Kohn-Sham energy decomposition analysis(GKS-EDA).

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