Current Issue
- 2012 Vol. 28,No. 12 Published: 14 November 2012
- Current column
- Table of Contents
- THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
- THEORETICAL AND COMPUTATIONAL CHEMISTRY
- ELECTROCHEMISTRY AND NEW ENERGY
- CATALYSIS AND SURFACE SCIENCE
- PHOTOCHEMISTRY AND RADIATION CHEMISTRY
- PHYSICAL CHEMISTRY OF MATERIALS
- Index
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Table of Contents
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- Cover and Table of Contents for Vol.28 No. 12
- 2012, 28 (12): 0.
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THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
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- Ultrafast Internal Conversion Dynamics of Benzyl Chloride by Femtosecond Time-Resolved Photoelectron Imaging
- DING Zhong-Hua, QIU Xue-Jun, XU Yan-Qi, WANG Yan-Mei, ZHANG Bing
- The ultrafast internal conversion of benzyl chloride (BzCl) was studied with femtosecond time-resolved photoelectron ima...
- 2012, 28 (12): 2761-2766. DOI: 10.3866/PKU.WHXB201210124
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- Reaction of p-Chloronitrobenzene Adsorbed on Silver Nanoparticles
- LUO Wen-Li, SU Ya-Qiong, TIAN Xiang-Dong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun
- Surface-enhanced Raman spectroscopy (SERS) on silver nanoparticles is highly sensitive because of surface plasmon resona...
- 2012, 28 (12): 2767-2773. DOI: 10.3866/PKU.WHXB201209052
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- Synthesis and Spectral Properties of Salen-Porphyrin Type Homo- and Hetero-Binuclear Complexes with π-Conjugate Configuration
- WANG Guan-Yao, YAN Wei-Wei, ZHANG Xiao-Hong, RUAN Wen-Juan, ZHU Zhi-Ang
- Two new types of Salen-porphyrin ligand and metal complexes with π-conjugate configurations were synthesized. The mon...
- 2012, 28 (12): 2774-2782. DOI: 10.3866/PKU.WHXB201209261
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- Structures, Thermodecomposition Kinetics and Luminescence Properties of Three Lanthanide-Based Supramolecular Compounds with 1H-Benzimidazole-2-carboxylic Acid
- DUAN Lin-Qiang, QIAO Cheng-Fang, WEI Qing, XIA Zheng-Qiang, CHEN San-Ping, ZHANG Guo-Chun, ZHOU Chun-Sheng, GAO Sheng-Li
- Three lanthanide-based supramolecular compounds, [Ln(HBIC)3]n [Ln=Sm (1), Ho (2), Yb (3); H2BIC=1H-benzimidazole-2-carbo...
- 2012, 28 (12): 2783-2789. DOI: 10.3866/PKU.WHXB201210122
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THEORETICAL AND COMPUTATIONAL CHEMISTRY
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- Prediction of the Thermal Conductivity of Organic Compounds Using Heuristic and Support Vector Machine Methods
- SHI Jing-Jie, CHEN Li-Ping, CHEN Wang-Hua, SHI Ning, YANG Hui, XU Wei
- To build the quantitative structure-property relationship (QSPR) between the molecular structures and the thermal conduc...
- 2012, 28 (12): 2790-2796. DOI: 10.3866/PKU.WHXB201209273
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- Theoretical Simulation on the Chromatographic System Based on the Random Diffusion of the Separating Particles
- GUO Yan, FU Ying-Qiang, SUN Yin-Lu, CHEN Tian-Nan, ZHAO Jian-Wei
- In order to dynamically track the trajectory of diffusing molecules in a chromatography system, and to thoroughly unders...
- 2012, 28 (12): 2797-2802. DOI: 10.3866/PKU.WHXB201209141
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- Semiclassical Dynamics Simulation and CASSCF Calculation for 5-Methyl Cytosine and Cytosine
- YUAN Shuai, MA Jing, ZHANG Wen-Ying, SHU Kun-Xian, DOU Yu-Sheng
- We performed a semiclassical dynamics simulation study of the photophysical deactivation of 5m-cytosine (5m-Cyt) and cyt...
- 2012, 28 (12): 2803-2808. DOI: 10.3866/PKU.WHXB201209284
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- Effect of Substituents on Hydrogen Bond Strength in Hydrogen-Bonded N-methylacetamide and Uracil Complexes
- LIU Dong-Jia, WANG Chang-Sheng
- Theoretical calculations on a series of N－H…O＝C hydrogen-bonded complexes containing 1-methyluracil and N-methyla...
- 2012, 28 (12): 2809-2816. DOI: 10.3866/PKU.WHXB201209263
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- Properties and Weak Directionality of the π-Lithium Bond in C2H4-nFn···LiH (n =0, 1, 2) Dimers
- WANG Shu-Jian, LI Ying, WU Di
- Using the second-order Møller-Plesset perturbation method, the structures and π-lithium bonding properties of ...
- 2012, 28 (12): 2817-2823. DOI: 10.3866/PKU.WHXB201208291
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- Accurate Calculation of the Reaction Barriers and Rate Constants of the Pyrolysis of Alkyl Radicals in the β Position Using the Isodesmic Reaction Method
- WANG Bi-Yao, TAN Ning-Xin, YAO Qian, LI Ze-Rong, LI Xiang-Yuan
- The isodesmic reaction method is proposed for the accurate calculation of the reaction barriers and rate constants for a...
- 2012, 28 (12): 2824-2830. DOI: 10.3866/PKU.WHXB201209053
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- 1,2- and 1,4-Addition Reactions between Silabenzenes and HX (X=F, OH, NH2)
- WANG Yan, ZENG Xiao-Lan
- Density functional theory calculations at the B3LYP/6-311 ++ G(d,p) level were performed to study the reaction mechanism...
- 2012, 28 (12): 2831-2838. DOI: 10.3866/PKU.WHXB201208134
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- Nonlinear Optical Properties of a Series of 6,12-Diethynylindeno[1,2-b]fluorene Derivatives
- SONG Hong-Juan, ZHANG Meng-Ying, SUN Xiu-Xin, SUN Shi-Ling QIU Yong-Qing
- The polarizabilities (αs) and second hyperpolarizabilities (γs) of a series of 6,12-diethynylindeno[1,2-b]fl...
- 2012, 28 (12): 2839-2844. DOI: 10.3866/PKU.WHXB201209283
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- Defects Energetics, Electronic Structure and Optical Properties of Cu-Doping and Zn Vacancy Impurities in ZnSe
- GUO Lei, HU Ge, ZHENG Sheng-Tao
- Based on first-principles within the density functional theory, the geometric structures of perfect zinc blend ZnSe, tha...
- 2012, 28 (12): 2845-2851. DOI: 10.3866/PKU.WHXB20121083
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ELECTROCHEMISTRY AND NEW ENERGY
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- Quasi-Solid State Dye-Sensitized Solar Cells Based on the Novel Crosslinked Polymer Electrolyte
- LIANG Gui-Jie, ZHONG Zhi-Cheng, XU Jie, ZHANG Zeng-Chang, CHEN Mei-Hua, LI Zai-Fang, HE Ping, HOU Qiu-Fei
- A quasi-solid-state three-dimensionally crosslinked poly(citric acid-ethylene glycol) (PCE)/ LiI/I2 polymer electrolyte ...
- 2012, 28 (12): 2852-2860. DOI: 10.3866/PKU.WHXB201210091
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- Photoelectrochemical Properties of CdS/ZnO Shell-Core Nanorod Arrays Modified with P3HT
- SUN Bao, HAO Yan-Zhong, GUO Fen, LI Ying-Pin, LUO Chong, PEI Juan, SHEN Shi-Gang
- Highly ordered ZnO nanorod arrays were prepared on an indium-tin oxide (ITO) glass substrate using an electrochemical me...
- 2012, 28 (12): 2861-2866. DOI: 10.3866/PKU.WHXB201209051
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- Direct Electrochemistry and Immobilization of Glucose Oxidase on Nano-Carbon Aerogels
- YU Zhi-Hui, SU Ting-Ting, REN Cui-Hua, LI Fan, XIA Ding-Guo, CHENG Shui-Yuan
- Nano-carbon aerogels (CA) were prepared by the reaction between resorcinol and formaldehyde in alkaline conditions. The ...
- 2012, 28 (12): 2867-2873. DOI: 10.3866/PKU.WHXB201209201
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- Magnetic and Electrochemical Properties of NiCo2O4 Microbelts Fabricated by Electrospinning
- ZHU Fu-Liang, ZHAO Jing-Xin, CHENG Yong-Liang, LI Hai-Bao, YAN Xing-Bin
- Cobaltate nickel (NiCo2O4) microbelts were fabricated by direct calcination of electrospun precursor samples with an app...
- 2012, 28 (12): 2874-2878. DOI: 10.3866/PKU.WHXB201209063
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- Synthesis and Characteristics of Pt/graphene by Co-Reduction Method for Oxygen Reduction Reactions
- WANG Wan-Li, MA Zi-Feng
- 40% (w) Pt/graphene composites were prepared by sodium borohydride chemical coreduction, and were subsequently used as a...
- 2012, 28 (12): 2879-2884. DOI: 10.3866/PKU.WHXB201209252
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- Optimizing the Hydrothermal Synthesis of Micro-Sized Olivine LiFePO4
- SUN Xiao-Fei, XU You-Long, LIU Yang-Hao, LI Lu
- The low tap density of LiFePO4 is hindering the energy and power density of lithium-ion batteries in portable electronic...
- 2012, 28 (12): 2885-2892. DOI: 10.3866/PKU.WHXB201209271
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- Ionic Conduction in Sn0.9Mg0.1P2O7 at Intermediate Temperatures
- WANG Hong-Tao, SUN Lin, CHEN Ji-Tang, LUO Chun-Hua
- Sn0.9Mg0.1P2O7 was synthesized in a solid state reaction and characterized by X-ray diffraction (XRD) and scanning elect...
- 2012, 28 (12): 2893-2897. DOI: 10.3866/PKU.WHXB201210101
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- P123-Assisted Rheological Phase Reaction Synthesis and Electrochemical Performance of Li3V2(PO4)3/C Cathode
- YUAN Zhi-Hong, MA Jun, CHEN Xing, LIU Kai-Yu
- A monoclinic Li3V2(PO4)3/C cathode has been synthesized for use in lithium ion battery applications via a P123-assisted ...
- 2012, 28 (12): 2898-2904. DOI: 10.3866/PKU.WHXB201209253
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CATALYSIS AND SURFACE SCIENCE
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- A Sorbent Concentration-Dependent Langmuir Isotherm
- ZHAO Ling-Xi, SONG Shu-E, DU Na, HOU Wan-Guo
- Batch adsorption experiments of Pb(II) and Cu(II) on kaolinite as a function of kaolinite concentration were conducted. ...
- 2012, 28 (12): 2905-2910. DOI: 10.3866/PKU.WHXB201209251
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- Polymerizable Complex Synthesis of Protonated Form of Layered Perovskite K0.5La0.5Bi2Ta2O9 for Water Splitting into Hydrogen
- CHEN Wei, GAO Han-Yang, YANG Yu, LIN Pei-Bin, YUAN Jian, SHANGGUAN Wen-Feng, SU Jia-Chun, SUN Yang-Zhou
- The protonated layered perovskite oxide H1.9K0.3La0.5Bi0.1Ta2O7 (HKLBT) was prepared from K0.5La0.5Bi2Ta2O9 (KLBT) by H ...
- 2012, 28 (12): 2911-2916. DOI: 10.3866/PKU.WHXB201208011
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- Enhanced Visible Light Activity of BiVO4 by Treating in HCl Aqueous Solution and Its Mechanism
- LONG Ming-Ce, WAN Lei, ZENG Ceng, LIU Yi-Yi, CHEN Yuan-Yuan
- Enhanced photocatalytic activity of BiVO4 has been achieved by immersing in HCl aqueous solution. After treated for 6 h ...
- 2012, 28 (12): 2917-2923. DOI: 10.3866/PKU.WHXB201209032
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- Ni2P Catalysts Supported on TiO2-Pillared Sepiolite for Thiophene Hydrodesulfurization
- LIAO Hui, XU Xiang-Lan, CHEN Wei-Qing, SHI Qiu-Jie, LIU Wen-Ming, WANG Xiang
- Samples containing a nickel phosphide precursor were synthesized by the impregnation method using TiO2-pillared sepiolit...
- 2012, 28 (12): 2924-2930. DOI: 10.3866/PKU.WHXB201209281
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- Behavior of Bubbles on Electrodes with Hierarchical Microporous Structures and Different Wettability
- LIU Meng, GUO Xiang-Fei, WANG Jing-Ming, JIANG Lei
- We have prepared copper electrodes by the hierarchical micropore hydrogen template method. By changing the plating curre...
- 2012, 28 (12): 2931-2938. DOI: 10.3866/PKU.WHXB201209262
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- Effects of Surface Charge and Electric Field on the Interfacial Thermal Resistance at Liquid/Solid Interfaces
- GE Song, CHEN Min
- Effects of electric field and surface charge on the interfacial thermal resistance between water and solid are discussed...
- 2012, 28 (12): 2939-2943. DOI: 10.3866/PKU.WHXB201209042
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PHOTOCHEMISTRY AND RADIATION CHEMISTRY
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- Synthesis and Characterization of New 1,3,5-Triazine-Based Compounds Exhibiting Aggregation-Induced Emission and Mechanochromism
- OUYANG Mi, YU Chun-Hui, ZHANG Yu-Jian, HU Bin, Lü Xiao-Jing, SUN Jing-Wei, ZHANG Cheng
- Two star-shaped molecules consisting of a 1,3,5-triazine core with peripheral tetraphenylethylene moieties, 2,4,6-tris(4...
- 2012, 28 (12): 2944-2952. DOI: 10.3866/PKU.WHXB201208012
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- Fluorescence and Raman Spectroscopic Characteristics of the Photo-Induced Electron Transfer of Coumarin 343 Dye-Sensitized TiO2 Nanoparticles
- JIANG Li-Lin, LIU Wei-Long, SONG Yun-Fei, HE Xing, WANG Yang, WU Hong-Lin, YANG Yan-Qiang
- The fluorescence and Raman spectroscopic characteristics of the photo-induced electron transfer of Coumarin 343 (C343) d...
- 2012, 28 (12): 2953-2957. DOI: 10.3866/PKU.WHXB20121127
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PHYSICAL CHEMISTRY OF MATERIALS
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- Rapid Preparation of Highly Doped CuO/SiO2 Composite Aerogels
- XU Wei-Wei, DU Ai, TANG Jun, CHEN Ke, ZOU Li-Ping, ZHANG Zhi-Hua, SHEN Jun, ZHOU Bin
- Highly doped CuO/SiO2 composite aerogels were prepared via a propylene oxide pre-reaction method with acetonitrile as so...
- 2012, 28 (12): 2958-2964. DOI: 10.3866/PKU.WHXB201209282
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Index
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- ACTA PHYSICO-CHIMICA SINICA Vol. 28 No. 1-12 2012 INDEX
- 2012, 28 (12): 2965-2989.