机构

• 金属研究所 [9]
• 大连化学物理研究所 [9]
• 化学研究所 [7]
• 物理研究所 [2]
• 宁波材料技术与工程研... [2]
• 上海药物研究所 [2]
• 更多

采集方式

• OAI收割 [47]
• iSwitch采集 [1]

内容类型

• 期刊论文 [44]
• 会议论文 [2]
• 学位论文 [2]

发表日期

• 2024 [1]
• 2022 [1]
• 2021 [1]
• 2020 [1]
• 2018 [5]
• 2017 [2]
• 更多

学科主题

• Chemistry [1]
• Silica [1]
• 交叉与边缘领域的力学... [1]
• 环境科学::环境化学 [1]

筛选

浏览/检索结果: 共48条，第1-10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 Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides 期刊论文  OAI收割 CHEMICAL ENGINEERING SCIENCE, 2024, 卷号: 285, 页码: 12 作者:  Zhu, Bojin;  Li, Zhen;  Han, Tiankun;  Yan, Youguo;  Li, Jiawei   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/04/07 Asphaltene dispersibility  Crude oil viscosity  Molecular dynamics simulation  Density function theory calculation   Selective Hydrogenation of Crotonaldehyde on SiO2-Supported Pt Clusters: A DFT Study 期刊论文  OAI收割 Advanced Theory and Simulations, 2022, 卷号: 5, 期号: 10 作者:  Song, Yang;  Hu, Chaoquan;  Li, Chang;  Ma, Meng   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Density functional theory - Free energy - Hydrogenation - Nanoclusters - Probability density function - Product design - Silicon   Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11 作者:  Shang, Honghui;  Liang, WanZhen;  Zhang, Yunquan;  Yang, Jinlong   |  收藏  |  浏览/下载：39/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory   Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton 期刊论文  OAI收割 DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 13, 页码: 4093-4099 作者:  Wang, Cui;  Wu, Qun-Yan;  Wang, Cong-Zhi;  Lan, Jian-Hui;  Nie, Chang-Ming   |  收藏  |  浏览/下载：36/0  |  提交时间：2020/12/16 SEGMENTED CONTRACTION SCHEME  DENSITY-FUNCTIONAL THEORY  MINOR ACTINIDES  AM(III)/EU(III) SELECTIVITY  EXTRACTION SEPARATION  WAVE-FUNCTION  F-ELEMENTS  COMPLEXATION  ENERGY  DESIGN   Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文  OAI收割 ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711 作者:  Cheng, Shi-Bo;  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua   |  收藏  |  浏览/下载：44/0  |  提交时间：2019/06/20 indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship   Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文  iSwitch采集 Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711 作者:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo 收藏  |  浏览/下载：68/0  |  提交时间：2019/05/08 Indeno[1,2-b] fluorene-6,12-dione-based molecules  Intrinsic hole mobility  Intrinsic electron mobility  Electronic spectra  Density functional theory (dft)  Structure-function relationship   Structure, electronic and optical properties of LaNbO4: An experimental and first-principles study 期刊论文  OAI收割 SOLID STATE COMMUNICATIONS, 2018, 卷号: 277, 期号: 无, 页码: 7-12 作者:  Ding, Shoujun;  Zhang, Haotian;  Chen, Yuanzhi;  Zhang, Qingli;  Dou, Renqin   |  收藏  |  浏览/下载：28/0  |  提交时间：2019/08/23 LaNbO4  solid-state reaction  Luminescence properties  Density function theory   Experimental and first principle study of the structure, electronic, optical and luminescence properties of M-type GdNbO4 phosphor 期刊论文  OAI收割 JOURNAL OF SOLID STATE CHEMISTRY, 2018, 卷号: 262, 期号: 无, 页码: 87-93 作者:  Ding, Shoujun;  Zhang, Haotian;  Zhang, Qingli;  Chen, Yuanzhi;  Dou, Renqin   |  收藏  |  浏览/下载：12/0  |  提交时间：2019/06/04 GdNbO4  Phosphor  Solid-state reaction  Luminescence  Density function theory   Molecular Structure and Spectrum of GaN under the Radiation Fields 期刊论文  OAI收割 SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 卷号: 38, 期号: 1, 页码: 21-25 作者:  Lin Hua;  Li Bing-sheng;  Qin Chao-chao;  Yin Wen-yi;  Liu Yu-zhu   |  收藏  |  浏览/下载：21/0  |  提交时间：2018/05/31 Gallium nitride  Radiation field  Spectrum  Density function theory   Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文  OAI收割 NANO ENERGY, 2017, 卷号: 39, 页码: 1-8 作者:  Hao, Ce;  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Wang, Aiqin 收藏  |  浏览/下载：32/0  |  提交时间：2017/12/19 Single-atom electrocatalysis  Photovoltaics  Counter electrodes  Density function theory