Table of Contents

• Cover and Table of Contents for Vol. 34 No. 6
• Acta Phys. -Chim. Sin. 2018, 34 (6), 0.

• 927Abstract/Metrics
• 153 PDF(8185KB)

HIGHLIGHT

• Construction of Sierpiński Triangles up to the Fifth Order
• Zhongfan LIU
• Acta Phys. -Chim. Sin. 2018, 34 (6), 551-552. DOI: 10.3866/PKU.WHXB201710172

• 2477Abstract/Metrics
• 108RichHTML
• 758 PDF(1173KB)

• Ligand Effects in Catalysis by Atomically Precise Gold Nanoclusters
• Minghua LIU
• Acta Phys. -Chim. Sin. 2018, 34 (6), 553-554. DOI: 10.3866/PKU.WHXB201710301

• 2568Abstract/Metrics
• 31RichHTML
• 1700 PDF(607KB)

• Highly Selective Methanol Synthesis from CO₂ Hydrogenation on a Solid Solution Catalyst
• Buxing HAN
• Acta Phys. -Chim. Sin. 2018, 34 (6), 555-556. DOI: 10.3866/PKU.WHXB201710302

• 2772Abstract/Metrics
• 33RichHTML
• 1045 PDF(902KB)

• Graphene-Armored Aluminum Foil for Anticorrosion-Enhanced Battery Anode Current Collector
• Lin ZHUANG
• Acta Phys. -Chim. Sin. 2018, 34 (6), 557-558. DOI: 10.3866/PKU.WHXB201711072

• 3571Abstract/Metrics
• 36RichHTML
• 2243 PDF(895KB)

• Controlled Doping of a Metal Nanocluster by Hollowing and Refilling
• Gao LI
• Acta Phys. -Chim. Sin. 2018, 34 (6), 559-560. DOI: 10.3866/PKU.WHXB201711133

• 2511Abstract/Metrics
• 15RichHTML
• 462 PDF(568KB)

RECOMMENDATION

• An Alternative Approach to Extend Levy Constrained Search in Fock Space to No Integer Electron Number in Density Functional Theory
• Shubin LIU
• Acta Phys. -Chim. Sin. 2018, 34 (6), 561-562. DOI: 10.3866/PKU.WHXB201712182

• 2367Abstract/Metrics
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• 264 PDF(226KB)

PREFACE

• Chemical Concepts from Density Functional Theory
• Shubin. LIU,Xiaojuan. ZHANG
• Chemical concepts such as structure, bonding, reactivity, etc. have been widely used in the literature and text books to...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 563-566. DOI: 10.3866/PKU.WHXB201802282

• 2930Abstract/Metrics
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• 704 PDF(229KB)

PERSPECTIVE

• Perspective: Chemical Information Encoded in Electron Density
• Julia CONTRERAS-GARCíA,Weitao YANG
• In this perspective, we review the chemical information encoded in electron density and other ingredients used in semilo...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 567-580. DOI: 10.3866/PKU.WHXB201801261

• 3385Abstract/Metrics
• 38RichHTML
• 661 PDF(3954KB)

REVIEW

• Advances in Electrode Materials for Aqueous Rechargeable Sodium-Ion Batteries
• Shuang LIU,Lianyi SHAO,Xuejing ZHANG,Zhanliang TAO,Jun CHEN
• With solar, wind, and other types of renewable energy incorporated into electrical grids and with the construction of sm...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 581-597. DOI: 10.3866/PKU.WHXB201711222

• 8888Abstract/Metrics
• 184RichHTML
• 4462 PDF(3470KB)

• How to Synthesize Vitamin E
• Zhe WANG,Shanjun MAO,Haoran LI,Yong WANG
• Vitamin E compounds are biologically active and are frequently used as antioxidants. The demand for Vitamin E compounds ...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 598-617. DOI: 10.3866/PKU.WHXB201711231

• 7842Abstract/Metrics
• 128RichHTML
• 3974 PDF(2573KB)

ARTICLE

• Shock Tube Study of Methyl Pentanoate Ignition at High Temperatures
• Pengfei LU,Yudan GOU,Jiuning HE,Ping LI,Changhua ZHANG,Xiangyuan LI
• Methyl pentanoate (MPE, C6H12O2) is one of the intermediate produced species during the combustion of biodiesel and long...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 618-624. DOI: 10.3866/PKU.WHXB201710252

• 3869Abstract/Metrics
• 22RichHTML
• 698 PDF(441KB)

• Levy Constrained Search in Fock Space: An Alternative Approach to Noninteger Electron Number
• Paul W. AYERS,Mel LEVY
• By extending the Levy wavefunction constrained search to Fock Space, one can define a wavefunction constrained search fo...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 625-630. DOI: 10.3866/PKU.WHXB201711071

• 2793Abstract/Metrics
• 13RichHTML
• 580 PDF(308KB)

• Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
• Carlos CÁRDENAS,Macarena MUÑOZ,Julia CONTRERAS,Paul W. AYERS,Tatiana GÓMEZ,Patricio FUENTEALBA
• Chemical reactivity towards electron transfer is captured by the Fukui function. However, this is not well defined when ...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 631-638. DOI: 10.3866/PKU.WHXB201710201

• 3000Abstract/Metrics
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• 736 PDF(1663KB)

• Aromaticity Study of Benzene-Fused Fulvene Derivatives Using the Information-Theoretic Approach in Density Functional Reactivity Theory
• Donghai. YU,Chunying. RONG,Tian. LU,Frank. DE PROFT,Shubin. LIU
• Although a large variety of aromatic systems have been unveiled in the literature, justifying their origin of stability ...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 639-649. DOI: 10.3866/PKU.WHXB201710231

• 4482Abstract/Metrics
• 49RichHTML
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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
• Kati. FINZEL,Patrick. BULTINCK
• In this work it is shown that the kinetic energy and the exchange-correlation energy are mutual dependent on each other....
• Acta Phys. -Chim. Sin. 2018, 34 (6), 650-655. DOI: 10.3866/PKU.WHXB201710251

• 2574Abstract/Metrics
• 12RichHTML
• 541 PDF(344KB)

• Kohn-Sham Density Matrix and the Kernel Energy Method
• Walter POLKOSNIK,Lou MASSA
• The kernel energy method (KEM) has been shown to provide fast and accurate molecular energy calculations for molecules a...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 656-661. DOI: 10.3866/PKU.WHXB201801101

• 2323Abstract/Metrics
• 13RichHTML
• 387 PDF(510KB)

• Quantitative Electrophilicity Measures
• Martínez GONZÁLEZ Marco,Carlos CÁRDENAS,Juan I. RODRÍGUEZ,Shubin LIU,Farnaz HEIDAR-ZADEH,Ramón Alain MIRANDA-QUINTANA,Paul W. AYERS
• Quantitative correlation of several theoretical electrophilicity measures over different families of organic compounds a...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 662-674. DOI: 10.3866/PKU.WHXB201711021

• 3650Abstract/Metrics
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• 823 PDF(1264KB)

• Multiply Charged Anions, Maximum Charge Acceptance, and Higher Electron Affinities of Molecules, Superatoms, and Clusters
• László VON SZENTPÁLY
• The addition of electrons to form gas-phase multiply charged anions (MCAs) normally requires sophisticated experiments o...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 675-682. DOI: 10.3866/PKU.WHXB201801021

• 2553Abstract/Metrics
• 16RichHTML
• 421 PDF(595KB)

• Thermodynamic Dual Descriptor
• Marco FRANCO-PÉREZ,José L. GÁZQUEZ,W. AYERS Paul,Alberto VELA
• A new definition of the dual descriptor, namely, the thermodynamic dual descriptor, is developed within the grand canoni...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 683-391. DOI: 10.3866/PKU.WHXB201801031

• 2768Abstract/Metrics
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• 445 PDF(379KB)

• Reactivity of Indoles through the Eyes of a Charge-Transfer Partitioning Analysis
• Ulises OROZCO-VALENCIA,L. GÁZQUEZ José,Alberto VELA
• A global and local charge transfer partitioning model, based on the cornerstone theory developed by Robert G. Parr and R...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 692-698. DOI: 10.3866/PKU.WHXB201801121

• 2566Abstract/Metrics
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• 411 PDF(611KB)

• Analogies between Density Functional Theory Response Kernels and Derivatives of Thermodynamic State Functions
• Paul GEERLINGS,Frank DE PROFT,Stijn FIAS
• In view of its use as reactivity theory, Conceptual Density Functional Theory (DFT), introduced by Parr et al., has main...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 699-707. DOI: 10.3866/PKU.WHXB201711221

• 2730Abstract/Metrics
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• 639 PDF(325KB)

• Improving the Efficiency of Carbon Quantum Dots as a Visible Light Photosensitizer by Polyamine Interfacial Modification
• Shaohai LI,Bo WENG,Kangqiang LU,Yijun XU
• Carbon quantum dots (CQDs) are emerging as the new-generation light absorber for solar energy conversion. However, the l...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 708-718. DOI: 10.3866/PKU.WHXB201710162

• 4877Abstract/Metrics
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• Supporting Info
• 1248 PDF(3800KB)

• Synthesis of MnO_x-CeO₂ Using Metal-Organic Framework as Sacrificial Template and Its Performance in the Toluene Catalytic Oxidation Reaction
• Xueting LIN,Mingli FU,Hui HE,Junliang WU,Limin CHEN,Daiqi YE,Yun HU,Yifan WANG,William WEN
• A series of MnOx-CeO2 with different Mn contents was prepared using CeBTC-MOF as the sacrificial template. These constit...
• Acta Phys. -Chim. Sin. 2018, 34 (6), 719-730. DOI: 10.3866/PKU.WHXB201712011

• 4375Abstract/Metrics
• 57RichHTML
• 1823 PDF(2764KB)