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lingzi326荣誉版主 (著名写手)
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【晶体版系列跨年活动】分享08年你读过的好文献，3-8金币奖励！
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分享08年你读过的好文献 内容： 建议您推荐的文献出自研究领域内水平较高的刊物，提供近年来最新研究进展和一些经典文献，非常欢迎综述类文献。 格式： 【学科领域】 【文献题目】 【期刊来源】 【作者或课题组】 【发表时间】 【内容简介】 【体会&收获】 奖励： 依据文献内容和您所介绍的情况给予3-8金币奖励。 最好提供附件或下载链接，选择页面左上区域的回复帖子可以上传附件（如图），而快速回复不能上传附件。 [ Last edited by lingzi326 on 2008-12-28 at 23:08 ] |
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lucheng336
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waiy2001(金币+5,VIP+0):谢谢支持版主活动
waiy2001(金币+5,VIP+0):谢谢支持版主活动
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【学科领域】材料物理 【文献题目】Characterization of the High-Pressure Structural Transition and Thermodynamic Properties in Sodium Chloride: A Computational Investigation on the Basis of the Density Functional Theory 【期刊来源】J. Phys. Chem. B 2008, 112, 13898–13905 【作者或课题组】Cheng Lu, Xiao-Yu Kuang, and Qin-Sheng Zhu 【发表时间】August 24, 2008 【内容简介】Using first-principles calculations, the elastic constants, the thermodynamic properties, and the structural phase transition between the B1 (rocksalt) and the B2 (cesium chloride) phases of NaCl are investigated by means of the pseudopotential plane-waves method. The calculations are performed within the generalized gradient approximation to density functional theory with the Perdew-Burke-Ernzerhof exchange-correlation functional. On the basis of the third-order Birch-Murnaghan equation of states, the transition pressure Pt between the B1 phase and the B2 phase of NaCl is determined. The calculated values are generally speaking in good agreement with experiments and with similar theoretical calculations. From the theoretical calculations, the shear modulus, Young’s modulus, rigidity modulus, and Poisson’s ratio of NaCl are derived. According to the quasi-harmonic Debye model, we estimated the Debye temperature of NaCl from the average sound velocity. Moreover, the pressure derivatives of elastic constants, ∂C11/∂P, ∂C12/∂P, ∂C44/∂P, ∂S11/∂P, ∂S12/∂P, and ∂S44/∂P, for NaCl crystal are investigated for the first time. This is a quantitative theoretical prediction of the elastic and thermodynamic properties of NaCl, and it still awaits experimental confirmation. 【体会&收获】发J. Phys. Chem. B也不是太难耶！嘿嘿嘿 [ Last edited by lucheng336 on 2009-1-2 at 22:14 ] |
10楼2009-01-02 22:13:03
lingzi326
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waiy2001(金币+0,VIP+0):呵呵，老版主怎么不提供下载呢，我也想下下来看看呀
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【学科领域】生物无机化学 【文献题目】Highly Sensitive and Selective Colorimetric Sensors for Uranyl (UO2 2+): Development and Comparison of Labeled and Label-Free DNAzyme-Gold Nanoparticle Systems 【期刊来源】J. AM. CHEM. SOC. 【作者或课题组】Yi Lu 【发表时间】 2008, 130, 14217–14226 [ Last edited by lingzi326 on 2008-12-27 at 23:09 ] |
2楼2008-12-27 14:23:31
lingzi326
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waiy2001(金币+4,VIP+0):奖励一下,呵呵
waiy2001(金币+4,VIP+0):奖励一下,呵呵
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【学科领域】晶体 【文献题目】Polymorphism of a Simple Organic Amide 【期刊来源】Cryst. Growth Des. 【作者或课题组】Melanie R. Hauser,† Lev Zhakarov,† Kenneth M. Doxsee,*,† and Tonglei Li‡ 【发表时间】2008 【内容简介】 Glycolanilide (2-hydroxy-N-phenylacetamide), a simple amide, may be reproducibly crystallized in either of two polymorphic forms. The crystal and molecular structures of each polymorph have been determined, revealing that the two polymorphs differ in the extent and arrangement of intermolecular hydrogen bonding. The more stable polymorph displays one-dimensional chains linked through hydrogen bonds between the amide carbonyl and the R-hydroxyl group. In the metastable polymorph, analogous chain structures are overlain with cyclic hydrogen-bonded amide dimers, with an additional set of hydrogen bonding contacts joining the chain and cyclic motifs. |
3楼2008-12-28 23:12:05
xxiaojjie
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waiy2001(金币+4,VIP+0):谢谢支持版主活动,呵呵
waiy2001(金币+4,VIP+0):谢谢支持版主活动,呵呵
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【学科领域】 【文献题目】Rational Design of Macrometallocyclic Trinuclear Complexes with Superior ð-Acidity and ð-Basicity 【期刊来源】J. AM. CHEM. SOC. 【作者或课题组】Sammer M. Tekarli, Thomas R. Cundari,* and Mohammad A. Omary* 【发表时间】2008, 130, 1669-1675 纳米盘： http://www.namipan.com/d/Superio ... eedb6757842ae532800 个人觉得很不错，值得研究 |
4楼2008-12-29 10:54:17
