机构

• 物理研究所 [11]

采集方式

• OAI收割 [11]

内容类型

• 期刊论文 [11]

发表日期

• 2012 [1]
• 2011 [5]
• 2010 [1]
• 2009 [3]
• 2008 [1]

学科主题

筛选

浏览/检索结果: 共11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 Influence of water on the electronic structure of metal-supported graphene: Insights from van der Waals density functional theory 期刊论文  OAI收割 PHYSICAL REVIEW B, 2012, 卷号: 85, 期号: 8 Li, X; Feng, J; Wang, EG; Meng, S; Klimes, J; Michaelides, A 收藏  |  浏览/下载：23/0  |  提交时间：2013/09/18 SURFACES  ADSORPTION  NI(111)   Acetone adsorption on ice investigated by X-ray spectroscopy and density functional theory 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 44, 页码: 19988 Starr, DE; Pan, D; Newberg, JT; Ammann, M; Wang, EG; Michaelides, A; Bluhm, H 收藏  |  浏览/下载：19/0  |  提交时间：2013/09/17 INITIO MOLECULAR-DYNAMICS  GENERALIZED GRADIENT APPROXIMATION  SURFACE CHEMICAL-PROPERTIES  PLANE-WAVE METHOD  WALL FLOW-TUBE  PHOTOELECTRON-SPECTROSCOPY  AB-INITIO  ATMOSPHERIC CHEMISTRY  POLYATOMIC-MOLECULES  ABSORPTION SPECTRA   Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 134, 期号: 13 Ma, J; Michaelides, A; Alfe, D 收藏  |  浏览/下载：24/0  |  提交时间：2013/09/17 DENSITY-FUNCTIONAL-THEORY  AUGMENTED-WAVE METHOD  GRAPHITE SURFACE  PSEUDOPOTENTIALS  SIMULATIONS  ATOMS   Melting the Ice: On the Relation between Melting Temperature and Size for Nanoscale Ice Crystals 期刊论文  OAI收割 ACS NANO, 2011, 卷号: 5, 期号: 6, 页码: 4562 Pan, D; Liu, LM; Slater, B; Michaelides, A; Wang, E 收藏  |  浏览/下载：22/0  |  提交时间：2013/09/18 MOLECULAR-DYNAMICS SIMULATION  POLAR MESOSPHERIC CLOUDS  GIBBS-THOMSON EQUATION  X-RAY-SCATTERING  FORCE MICROSCOPY  WATER CLUSTERS  LIQUID WATER  SURFACE  ENERGY  DENSITY   Large variation of vacancy formation energies in the surface of crystalline ice 期刊论文  OAI收割 NATURE MATERIALS, 2011, 卷号: 10, 期号: 10, 页码: 794 Watkins, M; Pan, D; Wang, EG; Michaelides, A; VandeVondele, J; Slater, B 收藏  |  浏览/下载：26/0  |  提交时间：2013/09/18 WATER  PSEUDOPOTENTIALS  ADSORPTION  GASES  STEPS  LAYER  H2O   Adsorption and diffusion of water on graphene from first principles 期刊论文  OAI收割 PHYSICAL REVIEW B, 2011, 卷号: 84, 期号: 3 Ma, J; Michaelides, A; Alfe, D; Schimka, L; Kresse, G; Wang, EG 收藏  |  浏览/下载：24/0  |  提交时间：2013/09/17 GENERALIZED GRADIENT APPROXIMATION  GRAPHITE INTERACTION  CARBON NANOTUBE  DENSITY  MOLECULE  SURFACE  ENERGY  COMPLEXES  CLUSTERS  EXCHANGE   Surface energy and surface proton order of the ice Ih basal and prism surfaces 期刊论文  OAI收割 JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 卷号: 22, 期号: 7 Pan, D; Liu, LM; Tribello, GA; Slater, B; Michaelides, A; Wang, EG 收藏  |  浏览/下载：13/0  |  提交时间：2013/09/24 MOLECULAR-DYNAMICS SIMULATIONS  AB-INITIO  CRYSTAL-SURFACES  HEXAGONAL ICE  WATER  DENSITY  ADSORPTION  APPROXIMATION  DISSOCIATION  SCATTERING   On thin ice: surface order and disorder during pre-melting 期刊论文  OAI收割 FARADAY DISCUSSIONS, 2009, 卷号: 141, 页码: 277 Bishop, CL; Pan, D; Liu, LM; Tribello, GA; Michaelides, A; Wang, EG; Slater, B 收藏  |  浏览/下载：31/0  |  提交时间：2013/09/24 MOLECULAR-DYNAMICS  HEXAGONAL ICE  PHASE-DIAGRAM  LIQUID WATER  IH  SIMULATION  MODELS  POINT  TIP4P  H2O   The water-benzene interaction: Insight from electronic structure theories 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 130, 期号: 15 Ma, J; Alfe, D; Michaelides, A; Wang, E 收藏  |  浏览/下载：27/0  |  提交时间：2013/09/23 QUANTUM MONTE-CARLO  COMPLETE BASIS-SET  DENSITY-FUNCTIONAL METHODS  DER-WAALS COMPLEXES  WAVE-FUNCTIONS  CORRELATION ENERGIES  BINDING-ENERGIES  LIMIT  PSEUDOPOTENTIALS  APPROXIMATION   Stone-Wales defects in graphene and other planar sp(2)-bonded materials 期刊论文  OAI收割 PHYSICAL REVIEW B, 2009, 卷号: 80, 期号: 3 Ma, J; Alfe, D; Michaelides, A; Wang, E 收藏  |  浏览/下载：20/0  |  提交时间：2013/09/24 SI(001) SURFACE  CHEMICAL FUNCTIONALIZATION  CARBON NANOTUBES  GRAPHITE