本期目次
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目次
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- 第34卷第6期封面和目次
- 2018, 34 (6): 0
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亮点
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- 五级谢尔宾斯基三角形的制备
- 刘忠范
- 2018, 34 (6): 551 -552 DOI: 10.3866/PKU.WHXB201710172
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- 原子精确的金纳米团簇在催化中的配体效应
- 刘鸣华
- 2018, 34 (6): 553 -554 DOI: 10.3866/PKU.WHXB201710301
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- 固溶体催化剂实现CO2高选择性加氢合成甲醇
- 韩布兴
- 2018, 34 (6): 555 -556 DOI: 10.3866/PKU.WHXB201710302
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- 石墨烯增强锂离子电池铝箔集流体的抗腐蚀性
- 庄林
- 2018, 34 (6): 557 -558 DOI: 10.3866/PKU.WHXB201711072
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- 金属纳米颗粒中的单原子穿梭
- 李杲
- 2018, 34 (6): 559 -560 DOI: 10.3866/PKU.WHXB201711133
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当期推荐
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前言
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- Chemical Concepts from Density Functional Theory
- LIU Shubin.,ZHANG Xiaojuan.
- Chemical concepts su...
- 2018, 34 (6): 563 -566 DOI: 10.3866/PKU.WHXB201802282
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展望
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- Perspective: Chemical Information Encoded in Electron Density
- CONTRERAS-GARCíA Julia,YANG Weitao
- In this perspective,...
- 2018, 34 (6): 567 -580 DOI: 10.3866/PKU.WHXB201801261
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综述
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- 水系钠离子电池电极材料研究进展
- 刘双,邵涟漪,张雪静,陶占良,陈军
- 随着太阳能、风能等可再生能源发电并网普及...
- 2018, 34 (6): 581 -597 DOI: 10.3866/PKU.WHXB201711222
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- 维生素E的催化合成路线分析
- 王哲,毛善俊,李浩然,王勇
- 维生素E具有多种特异的生理活性，同时也是...
- 2018, 34 (6): 598 -617 DOI: 10.3866/PKU.WHXB201711231
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论文
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- 戊酸甲酯高温点火的激波管研究
- 卢鹏飞,苟于单,何九宁,李萍,张昌华,李象远
- 戊酸甲酯是生物柴油和长链脂类燃烧过程中的...
- 2018, 34 (6): 618 -624 DOI: 10.3866/PKU.WHXB201710252
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- Levy Constrained Search in Fock Space: An Alternative Approach to Noninteger Electron Number
- AYERS Paul W.,LEVY Mel
- By extending the Lev...
- 2018, 34 (6): 625 -630 DOI: 10.3866/PKU.WHXB201711071
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- Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
- CÁRDENAS Carlos,MUÑOZ Macarena,CONTRERAS Julia,AYERS Paul W.,GÓMEZ Tatiana,FUENTEALBA Patricio
- Chemical reactivity ...
- 2018, 34 (6): 631 -638 DOI: 10.3866/PKU.WHXB201710201
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- 运用密度泛函活性理论的信息论方法研究苯并富烯衍生物的芳香性
- 余东海,荣春英,卢天,DEPROFT Frank.,刘述斌
- 文献中已有越来越多的芳香性体系被发现，同...
- 2018, 34 (6): 639 -649 DOI: 10.3866/PKU.WHXB201710231
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- The Influence of the Exchange-Correlation Functional on the Non-Interacting Kinetic Energy and Its Implications for Orbital-Free Density Functional Approximations
- FINZEL Kati.,BULTINCK Patrick.
- In this work it is s...
- 2018, 34 (6): 650 -655 DOI: 10.3866/PKU.WHXB201710251
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- Kohn-Sham Density Matrix and the Kernel Energy Method
- POLKOSNIK Walter,MASSA Lou
- The kernel energy me...
- 2018, 34 (6): 656 -661 DOI: 10.3866/PKU.WHXB201801101
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- Quantitative Electrophilicity Measures
- GONZÁLEZ Marco Martínez,CÁRDENAS Carlos,RODRÍGUEZ Juan I.,LIU Shubin,HEIDAR-ZADEH Farnaz,MIRANDA-QUINTANA Ramón Alain,AYERS Paul W.
- Quantitative correla...
- 2018, 34 (6): 662 -674 DOI: 10.3866/PKU.WHXB201711021
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- Multiply Charged Anions, Maximum Charge Acceptance, and Higher Electron Affinities of Molecules, Superatoms, and Clusters
- VON SZENTPÁLY László
- The addition of elec...
- 2018, 34 (6): 675 -682 DOI: 10.3866/PKU.WHXB201801021
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- Thermodynamic Dual Descriptor
- FRANCO-PÉREZ Marco,GÁZQUEZ José L.,AYERS Paul W.,VELA Alberto
- A new definition of ...
- 2018, 34 (6): 683 -391 DOI: 10.3866/PKU.WHXB201801031
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- Reactivity of Indoles through the Eyes of a Charge-Transfer Partitioning Analysis
- OROZCO-VALENCIA Ulises,GÁZQUEZ José L.,VELA Alberto
- A global and local c...
- 2018, 34 (6): 692 -698 DOI: 10.3866/PKU.WHXB201801121
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- Analogies between Density Functional Theory Response Kernels and Derivatives of Thermodynamic State Functions
- GEERLINGS Paul,DE PROFT Frank,FIAS Stijn
- In view of its use a...
- 2018, 34 (6): 699 -707 DOI: 10.3866/PKU.WHXB201711221
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- 聚胺界面修饰改善碳量子点可见光光敏化性能
- 李少海,翁波,卢康强,徐艺军
- 在新兴能源的存储与转化技术中，碳量子点作...