中国科学院机构知识库网格系统: 检索

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	高温高压下高氯酸钠的拉曼光谱研究学位论文 OAI收割 : 中国科学院广州地球化学研究所, 2019 作者: 何运鸿 \| 收藏 \| 浏览/下载：29/0 \| 提交时间：2019/07/17 高氯酸钠金刚石压腔高温高压拉曼光谱 CASTEP计算
	In silico approach to investigating the adsorption mechanisms of short chain perfluorinated sulfonic acids and perfluorooctane sulfonic acid on hydrated hematite surface 期刊论文 OAI收割 WATER RESEARCH, 2017, 卷号: 114, 期号: 0, 页码: 144-150 作者: Gao, Ke; Feng, Hongru; Lin, Yuan; Sun, Yuzhen; Cao, Huiming \| 收藏 \| 浏览/下载：49/0 \| 提交时间：2018/07/26 Perfluorinated Sulfonic Acids Forcite Castep Adsorption
	Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production 期刊论文 OAI收割 international journal of hydrogen energy, 2016, 卷号: 41, 期号: 19, 页码: 7919-7926 作者: Huang, Ying; Yan, Chang-Feng; Guo, Chang-Qing; Shi, Yan 收藏 \| 浏览/下载：18/0 \| 提交时间：2016/12/05 First principle DFT CASTEP Cerium dioxide Density of states Photocatalysis
	Density functional theory calculations of structural, electronic and optical properties of LaPO4:Eu 期刊论文 OAI收割 OPTICAL MATERIALS, 2014, 卷号: 36, 期号: 9, 页码: 1506-1510 作者: Wang, Xiaoyan; Wang, Xin; Liu, Wei; Liu, Chaohong; Zhang, Zhongju 收藏 \| 浏览/下载：38/0 \| 提交时间：2015/06/11 CASTEP Eu doped LaPO4 Luminescence Optical transition
	Investigation on terahertz vibrational modes of crystalline benzoic acid 期刊论文 OAI收割 optics communications, 2012, 卷号: 285, 期号: 6, 页码: 1593-1598 作者: Yan, Hui 收藏 \| 浏览/下载：26/0 \| 提交时间：2012/09/04 Benzoic acid THz-TDS DFT MP2 CASTEP
	金属和非金属掺杂二氧化钛光催化剂的理论研究学位论文 OAI收割博士, 太原: 中国科学院山西煤炭化学研究所, 2011 史卫梅收藏 \| 浏览/下载：60/0 \| 提交时间：2011/08/03 TiO2 半导体光催化共掺杂可见光电子结构密度泛函理论 CASTEP
	Analysis of computational EELS modelling results for MgO-based systems 期刊论文 OAI收割 ULTRAMICROSCOPY, 2010, 卷号: 110, 期号: 8, 页码: 1059 Seabourne, CR; Scott, AJ; Vaughan, G; Brydson, R; Wang, SG; Ward, RCC; Wang, C; Kohn, A; Mendis, B; Petford-Long, AK 收藏 \| 浏览/下载：28/0 \| 提交时间：2013/09/17 MAGNETIC TUNNEL-JUNCTIONS ENERGY-LOSS-SPECTROSCOPY NEAR-EDGE STRUCTURES ELECTRON SPECTRA CASTEP FILMS
	Theoretical study on the electronic structures and optical properties of YAlO3 crystal with interstitial oxygen atom 期刊论文 OAI收割 solid state communication, 2010, 期号: 150, 页码: 897-900 Chen JY(陈建玉); Zhao GJ(赵广军); Sun YY(孙媛媛); Liu TY(刘廷禹) 收藏 \| 浏览/下载：66/13 \| 提交时间：2011/03/29 YAP crystal Electronic structures Optical properties CASTEP
	Syntheses and crystal structures of Y7Co6Sn23 and RE5Co6Sn18 (RE = Sc, Ho) 期刊论文 OAI收割 Journal of Alloys and Compounds, 2009, 卷号: 485, 期号: 1-2, 页码: 124-131 X. W. Lei, G. H. Zhong, C. L. Hu and J. G. Mao 收藏 \| 浏览/下载：22/0 \| 提交时间：2012/11/06 Polar intermetallics Solid-state reactions Crystal structure Stannide Band structure calculation CASTEP 3d open-framework intermetallic compounds transport-properties magnetic-properties electronic-structure er compounds stannides system sn gd