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Erratum: Structural enrichment of HTS compounds from...
来自 : 百度学术
发布时间：2021-03-25
摘要：
The adsorption of 1,3,5-trinitro-s-triazine (RDX) and triacetone triperoxide (TATP) on representative fragments of metal organic framework (IRMOF-1) was studied at the B3LYP/6-31G(d) level of theory. For examined adsorbates several possible adsorption positions toward the IRMOF-1 fragments were found. The adsorption strength of the adsorbate on IRMOF-1 is largely affected by the geometry of...
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高级搜索 Erratum: Structural enrichment of HTS compounds from available commercial libraries (MedChemComm (2012) 3 (571-579) DOI: 10.1039/c2md00302c) ...Erratum: Structural enrichment of HTS compounds from available commercial libraries (MedChemComm (2012) 3 (571
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发布于 ： 2021-03-25
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