机构

• 生态环境研究中心 [2]
• 力学研究所 [1]
• 金属研究所 [1]
• 上海药物研究所 [1]

采集方式

• OAI收割 [5]

内容类型

• 期刊论文 [4]
• 会议论文 [1]

发表日期

• 2020 [1]
• 2019 [1]
• 2018 [1]
• 2013 [1]
• 2006 [1]

学科主题

筛选

浏览/检索结果: 共5条，第1-5条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 The formation of PBDFs from the ortho-disubstituted phenol precursors: A comprehensive theoretical study on the PBDD/Fs formation from 2,4,6-tribromophenol 期刊论文  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 713, 页码: 1-6 作者:  Chang, Jiamin;  Pan, Wenxiao;  Liu, Xian;  Xue, Qiao;  Fu, Jianjie   |  收藏  |  浏览/下载：47/0  |  提交时间：2021/09/14 PBDD/TS  Formation mechanism  Ortho-disubstituted phenol precursor  Density functional theory study   Synthesis and PTP1B/TCPTP Inhibitory Activity Evaluation of Novel 2,5-Disubstituted-1,3,4-thiadiazolamide Derivatives Containing Carbazole/Benzimidazole Moity 期刊论文  OAI收割 CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 39, 期号: 9, 页码: 2599-2608 作者:  Li Yingjun;  Zhao Yue;  Jin Kun;  Gao Lixin;  Sheng Li   |  收藏  |  浏览/下载：32/0  |  提交时间：2020/07/01 1,3,4-thiadiazolamide  carbazole  benzimidazole  synthesis  PTP1B inhibitor  molecular docking  density functional theory (DFT) study   Theoretical study on the formation mechanism of polychlorinated dibenzothiophenes/thianthrenes from 2-chlorothiophenol molecules 期刊论文  OAI收割 JOURNAL OF ENVIRONMENTAL SCIENCES, 2018, 卷号: 66, 页码: 318-327 作者:  Chang, Jiamin;  Yu, Xiaoqing;  Liu, Xian;  Pan, Wenxiao;  Zhang, Aiqian   |  收藏  |  浏览/下载：31/0  |  提交时间：2019/06/20 Polychlorinated dibenzothiophenes/thianthrenes  Formation mechanism  Phenyl radicals  Thiophenoxyl diradicals  Density functional theory study   A density functional study of zinc oxide elastic properties under high pressure 会议论文  OAI收割 Beijing, China, August 8, 2010 - August 12, 2010 作者:  Wang BB;  Zhao YP(赵亚溥)   |  收藏  |  浏览/下载：40/0  |  提交时间：2018/11/08 Biosensors  Blending  Chemical vapor deposition  Crystal symmetry  Crystals  Density functional theory  Elastic constants  Elasticity  II  VI semiconductors  Lattice constants  Local density approximation  Nanocomposites  Nanostructured materials  Zinc sulfide  Chemical vapor depositions (CVD)  Density  functional study  Elastic properties  Environment pressure  Generalized gradient approximations  Longitudinal direction  Multi  scale simulation  Zinc blend structure   First-principles study on the geometry and stability of CO and hydrogen coadsorption on the Ni(111)2x2 surface 期刊论文  OAI收割 Chemical Physics, 2006, 卷号: 323, 期号: 2-3, 页码: 334-340 L. Xu; H. Y. Xiao; X. T. Zu 收藏  |  浏览/下载：15/0  |  提交时间：2012/04/14 first-principles study  CO  hydrogen  coadsorption  Ni(111)  density-functional theory  reflection-absorption spectroscopy  x-ray-diffraction  carbon-monoxide  chemisorbed co  ni(111)-c(4x2)-2co  structure  atmospheric-pressure  vibrational-spectra  adsorption sites  ni(110)