机构

• 金属研究所 [6]
• 物理研究所 [4]
• 上海应用物理研究所 [2]
• 福建物质结构研究所 [1]
• 大连化学物理研究所 [1]
• 近代物理研究所 [1]
• 更多

采集方式

• OAI收割 [15]

内容类型

• 期刊论文 [15]

发表日期

• 2017 [1]
• 2014 [1]
• 2012 [2]
• 2011 [1]
• 2009 [5]
• 2008 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共15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 Matrix Infrared Spectra of Manganese and Iron Isocyanide Complexes 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8835-8842 作者:  Chen, XT;  Li, QNA;  Andrews, L;  Gong, Y   |  收藏  |  浏览/下载：20/0  |  提交时间：2018/08/30 Density-functional Calculations  Electronic Ground-state  Gaussian-basis Sets  Molecular Calculations  Transition-metals  Hydrogen-cyanide  Solid Argon  Atoms  Fenc  Fecn   Advances in computational actinide chemistry in China 期刊论文  OAI收割 RADIOCHIMICA ACTA, 2014, 卷号: 102, 期号: 42006, 页码: 13—25 Wang, DQ; Su, J; Wu, JY; Li, J; Chai, ZF 收藏  |  浏览/下载：57/0  |  提交时间：2015/03/13 DENSITY-FUNCTIONAL THEORY  CONSISTENT 5F-IN-CORE PSEUDOPOTENTIALS  URANYL(VI) ADSORPTION EQUILIBRIA  TETRADENTATE NITROGEN LIGANDS  MOLECULAR-DYNAMICS SIMULATION  PSEUDO-PEPTIDE COMPLEXES  NOBLE-GAS MATRICES  ELECTRONIC-STRUCTURE  AB-INITIO  GROUND-STATE   Evolution of magnetic phases in single crystals of SrFe1-xCoxO3 solid solution 期刊论文  OAI收割 PHYSICAL REVIEW B, 2012, 卷号: 86, 期号: 6 Long, YW; Kaneko, Y; Ishiwata, S; Tokunaga, Y; Matsuda, T; Wadati, H; Tanaka, Y; Shin, S; Tokura, Y; Taguchi, Y 收藏  |  浏览/下载：18/0  |  提交时间：2013/09/17 ELECTRONIC-STRUCTURE  GROUND-STATE  SRCOO3  SRFEO3   Efficient implementation of the Gutzwiller variational method 期刊论文  OAI收割 PHYSICAL REVIEW B, 2012, 卷号: 85, 期号: 3 Lanata, N; Strand, HUR; Dai, X; Hellsing, B 收藏  |  浏览/下载：26/0  |  提交时间：2013/09/17 GROUND-STATE PROPERTIES  MEAN-FIELD THEORY  ANDERSON MODEL  WAVE-FUNCTIONS  ELECTRONIC-STRUCTURE  CORRELATED FERMIONS  TRANSITION METALS  HUBBARD-MODEL  DIMENSIONS  SYSTEMS   Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials 期刊论文  OAI收割 Journal of the American Chemical Society, 2011, 卷号: 133, 期号: 10, 页码: 3410-3418 X. M. Jiang; M. J. Zhang; H. Y. Zeng; G. C. Guo; J. S. Huang 收藏  |  浏览/下载：23/0  |  提交时间：2012/06/06 functional perturbation-theory  strong 2nd-harmonic generation  total-energy calculations  ab-initio calculation  crystal-structure  electronic-structure  alpha-quartz  linear-response  ground-state  zintl  phases   The absorption, emission spectra as well as ground and excited states calculations of some dimethine cyanine dyes 期刊论文  OAI收割 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 906, 页码: 50-55 作者:  Zhang, Xiang-Han;  Wang, Lan-Ying;  Zhai, Gao-Hong;  Wen, Zhen-Yi;  Zhang, Zu-Xun   |  收藏  |  浏览/下载：29/0  |  提交时间：2018/05/31 Dimethine cyanine dye  Ground and excited state calculation  Electronic absorption spectrum  Electronic emission spectrum  Solvent effect   Exact solutions of a one-dimensional mixture of spinor bosons and spinor fermions 期刊论文  OAI收割 NUCLEAR PHYSICS B, 2009, 卷号: 820, 期号: 3, 页码: 753 Gu, SJ; Cao, JP; Chen, S; Lin, HQ 收藏  |  浏览/下载：31/0  |  提交时间：2013/09/17 NONLINEAR SCHRODINGER MODEL  DELTA-FUNCTION INTERACTION  INVERSE SCATTERING METHOD  ALGEBRAIC BETHE ANSATZ  INTERACTING BOSE-GAS  TONKS-GIRARDEAU GAS  MANY-BODY PROBLEM  GROUND-STATE  FINITE TEMPERATURE  ELECTRONIC MODEL   First-principles calculations for electronic and optical properties of the zinc-blende structured BeS compound under pressure 期刊论文  OAI收割 Chinese Physics B, 2009, 卷号: 18, 期号: 10, 页码: 4443-4448 H. Yang; J. Chang; Z. Li; X. R. Chen 收藏  |  浏览/下载：25/0  |  提交时间：2012/04/13 density functional theory  electronic structure  optical properties  high pressure  BeS  beryllium chalcogenides bes  ground-state properties  phase-transition  band-structure  ab-initio  thermodynamic properties  elastic properties  bete  approximation  constants   Phase transition and elastic properties of BeO under pressure from first-principles calculations 期刊论文  OAI收割 Physica B-Condensed Matter, 2009, 卷号: 404, 期号: 14-15, 页码: 1940-1946 B. R. Yu; J. W. Yang; H. Z. Guo; G. F. Ji; X. R. Chen 收藏  |  浏览/下载：17/0  |  提交时间：2012/04/13 First-principles calculations  Phase transitions  Elastic properties  BeO  beryllium-oxide  single-crystal  thermodynamic properties  electronic-properties  theoretical hardness  superhard materials  hexagonal beo  boron-nitride  ground-state  stability   Quantum phase transition and elementary excitations of a Bose-Fermi mixture in a one-dimensional optical lattice 期刊论文  OAI收割 PHYSICAL REVIEW B, 2009, 卷号: 80, 期号: 22 Gu, SJ; Cao, JP; Chen, S; Lin, HQ 收藏  |  浏览/下载：19/0  |  提交时间：2013/09/24 TONKS-GIRARDEAU GAS  DELTA-FUNCTION INTERACTION  HUBBARD-MODEL  GROUND-STATE  BETHE-ANSATZ  BOUNDARY-CONDITIONS  ELECTRONIC MODEL  ULTRACOLD ATOMS  MOTT TRANSITION  SUPERCONDUCTIVITY