机构

• 金属研究所 [5]
• 物理研究所 [3]
• 过程工程研究所 [2]
• 中国科学院大学 [2]
• 力学研究所 [1]
• 宁波材料技术与工程研... [1]
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采集方式

• OAI收割 [15]
• iSwitch采集 [2]

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浏览/检索结果: 共17条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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   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：40/0  |  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   Passive impulsive source range estimation based on warping operator in shallow water 期刊论文  iSwitch采集 Acta physica sinica, 2016, 卷号: 65, 期号: 10, 页码: 9 作者:  Wang Dong;  Guo Liang-Hao;  Liu Jian-Jun;  Qi Yu-Bo 收藏  |  浏览/下载：29/0  |  提交时间：2019/05/09 Shallow water  Range estimation  Warping  Energy density function   Study of the effects of water content and temperature on polyacrylamide/polyvinyl alcohol interpenetrating network hydrogel performance by a molecular dynamics method 期刊论文  OAI收割 E-POLYMERS, 2015, 卷号: 15, 期号: 5, 页码: 301-309 作者:  Wei, QH (Wei, Qinghua);  Zhang, YF (Zhang, Yingfeng);  Wang, YE (Wang, Yanen);  Chai, WH (Chai, Weihong);  Yang, MM (Yang, Mingming)   |  收藏  |  浏览/下载：117/0  |  提交时间：2018/01/24 Cohesive Energy Density  Mechanical Properties  Molecular Dynamics  Pair Correlation Function  Polyacrylamide  Polyvinyl Alcohol   Surface energy and work function of fcc and bcc crystals: Density functional study 期刊论文  OAI收割 Surface Science, 2014, 卷号: 630, 页码: 216-224 J. Wang; S. Q. Wang 收藏  |  浏览/下载：21/0  |  提交时间：2015/01/14 Surface energy  Work function  First principle  Density functional  calculations  photoelectron-spectroscopy  electronic-structure  transition-metals  corrosion  model  gold   Surface properties of 3d transition metals 期刊论文  OAI收割 Philosophical Magazine, 2011, 卷号: 91, 期号: 27, 页码: 3627-3640 M. P. J. Punkkinen; Q. M. Hu; S. K. Kwon; B. Johansson; J. Kollar; L. Vitos 收藏  |  浏览/下载：19/0  |  提交时间：2012/04/13 surface relaxation  surface energy  surface stress  magnetic transition  metals  density functional theory  full charge-density  initio molecular-dynamics  total-energy  calculations  augmented-wave method  ab-initio  electronic-structure  atomic volume  work function  basis-set  relaxation   Symmetry-dependent screening of surface plasmons in ultrathin supported films: The case of Al/Si(111) 期刊论文  OAI收割 PHYSICAL REVIEW B, 2011, 卷号: 83, 期号: 16 Yuan, Z; Jiang, Y; Gao, Y; Kall, M; Gao, SW 收藏  |  浏览/下载：26/0  |  提交时间：2013/09/24 ALKALI-METAL OVERLAYERS  DENSITY-RESPONSE FUNCTION  ELECTRONIC EXCITATIONS  THIN-FILMS  ENERGY  DISPERSION  SCATTERING  SUBSTRATE  LAYERS  PHASE   Three-dimensional flow driven pore-crack networks in porous composites: boltzmann lattice method and hybrid hypersingular integrals 期刊论文  iSwitch采集 Theoretical and applied fracture mechanics, 2010, 卷号: 53, 期号: 1, 页码: 9-41 作者:  Zhu, B. J.;  Shi, Y. L. 收藏  |  浏览/下载：51/0  |  提交时间：2019/05/10 Hypersingular integral equation method  Lattice boltzmann method  Flow driven pore-crack networks  Strain energy density function  Stress intensity factor  Various porous composites   An Immersed Boundary based method for studying thermal interaction of particles in a viscous fluid 会议论文  OAI收割 ASME 2010 3rd Joint US-European Fluids Engineering Summer Meeting, FEDSM 2010 Collocated with 8th International Conference on Nanochannels, Microchannels, and Minichannels, Montreal, QC, Canada, August 1, 2010 - August 5, 2010 作者:  Feng ZG;  Paudel BD;  Zhang X(张星) 收藏  |  浏览/下载：30/0  |  提交时间：2017/06/20 Buoyancy forces  Circular particle  Energy density functions  Energy equation  Eulerian grids  Flow regions  Fluid motions  Force density function  Heat transfer equations  Immersed boundary  Lagrangian  Momentum equation  Momentum interaction  Nonisothermal  Nonisothermal flows  Particle surface  Sedimentation velocities  Simulation result  Solid particles  Thermal boundary conditions  Thermal interaction  Viscous fluids   Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO 期刊论文  OAI收割 Journal of Applied Physics, 2009, 卷号: 105, 期号: 4 M. Xu; H. Zhao; K. Ostrikov; M. Y. Duan; L. X. Xu 收藏  |  浏览/下载：28/0  |  提交时间：2012/04/13 ab initio calculations  cobalt  copper  density functional theory  dielectric function  electronic structure  energy gap  Fermi level  ferromagnetism  II-VI semiconductors  magnetoelectronics  red shift  reflectivity  refractive index  semiconductor doping  semimagnetic  semiconductors  wide band gap semiconductors  zinc compounds  ferromagnetic properties  magnetic semiconductors  thin-films  doped zno