- 2015 Vol. 31,No. 11Published:13 November 2015 Date of publication: 13 November 2015
- Current column
- THEORETICALAND COMPUTATIONAL CHEMISTRY
- Table of Contents
- THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
- ELECTROCHEMISTRY AND NEW ENERGY
- SOFT MATTER
- CATALYSIS AND SURFACE SCIENCE
- PHOTOCHEMISTRY AND RADIATION CHEMISTRY
- BIOPHYSICAL CHEMISTRY
- PHYSICAL CHEMISTRY OF MATERIALS
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Table of Contents
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- Cover and Table of Contents for Vol.31 No. 11
- 2015, 31 (11): 0-0
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THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
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- Simulation of Surface Plasmon Coupled Emission with Silver Film
- Chen. CHEN,Dan-Feng. LU,Jin. CHENG,Zhi-Mei. QI
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Surface plasmon coupled emission (SPCE) is a physical process opposite to conventional surface plasmon resonance (SPR) ...
- 2015, 31 (11): 2023-2028 DOI: 10.3866/PKU.WHXB201509182
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- Laser-Induced Fluorescence Spectra of the Photolyzed Products of C2H5SSC2H5 by 266 nm Laser
- Hai-Yan. HAO,Zhen. LIU,Li-Li. ZU
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Organic sulfides are an atmospheric pollutant that photolyze in the atmosphere, causing additional pollution. The S―S b...
- 2015, 31 (11): 2029-2035 DOI: 10.3866/PKU.WHXB201509231
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- Study on Thermodynamic Properties of Ionic Liquid 1-Ethyl-3-methylimidazolium Alanine
- Ling. ZHENG,Ben-Han. FAN,Xiao-Xue. BU,Yi. PAN,Jia-Xin. DONG,Wei. GUAN
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We synthesized the alanine-based ionic liquid [C2mim][Ala] (1-ethyl-3-methylimidazolium alanine) by using th...
- 2015, 31 (11): 2036-2042 DOI: 10.3866/PKU.WHXB201509111
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- Determination of Iron Liposome/Water Partition Coefficients and Identification of Influencing Factors
- Ni-Na. LI,Li-Na. GENG,Lin. WANG,Lin-Lin. YUAN,Yan-Zhong. CHANG,Jian-Jun. ZHANG
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Ferric citrate liposomes (FAC-Lip) and heme liposomes (Heme-Lip) were successfully prepared by a rotary-evaporated film...
- 2015, 31 (11): 2043-2048 DOI: 10.3866/PKU.WHXB201509141
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- Crystal Structure and Thermal Decomposition Kinetics of Byproduct of Synthesis of RDX: 3, 5-Dinitro-1-oxygen-3, 5-diazacyclohexane
- Jing. LI,Li-Zhen. CHEN,Jian-Long. WANG,Guan-Chao. LAN,Huan. HOU,Man. LI
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A new cyclic byproduct was formed during hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine (RDX) preparation by direct nitrat...
- 2015, 31 (11): 2049-2056 DOI: 10.3866/PKU.WHXB201510092
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THEORETICALAND COMPUTATIONAL CHEMISTRY
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- Rényi Entropy, Tsallis Entropy and Onicescu Information Energy in Density Functional Reactivity Theory
- Shu-Bin. LIU,Chun-Ying. RONG,Ze-Min. WU,Tian. LU
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Density functional theory dictates that the electron density determines everything in a molecular system's ground state...
- 2015, 31 (11): 2057-2063 DOI: 10.3866/PKU.WHXB201509183
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- Computation of Electron Affinities with the Second Order Multireference Perturbation Theory
- Zhi-Hui. FAN,Fei-Wu. CHEN
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Electron affinities of F, Cl, OH, SH, CN, CH2, and NH2 have been computed with the second order m...
- 2015, 31 (11): 2064-2076 DOI: 10.3866/PKU.WHXB201508201
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- Application of the Multi-Center Partition Method to Construct the Potential Energy Surface of H3
- Wei. DAI,Liu-Yang. CHEN,Li-Min. ZHENG,Ming-Hui. YANG
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The potential energy surface plays an important role in studying molecular reaction dynamics. In this work, a new metho...
- 2015, 31 (11): 2077-2082 DOI: 10.3866/PKU.WHXB201509143
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- First-Principles Calculations of Electronic Properties of Defective Armchair MoS2 Nanoribbons
- Yan. SHAO,Fang-Ping. OUYANG,Sheng-Lin. PENG,Qi. LIU,Zhi-An. JIA,Hui. ZOU
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We investigated the electronic properties of armchair MoS2 nanoribbons with vacancy defects using a first-pr...
- 2015, 31 (11): 2083-2090 DOI: 10.3866/PKU.WHXB201510132
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- Molecular Dynamics Simulation of Pd Clusters Deposited on Pd/Ag Substrates
- Kun. WANG,Juan-Fang. LIU,Qing-Hua. CHEN
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Using molecular dynamics simulations, we investigated the microscopic processes of large palladium clusters deposited o...
- 2015, 31 (11): 2091-2098 DOI: 10.3866/PKU.WHXB201509153
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ELECTROCHEMISTRY AND NEW ENERGY
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- Preparation of Cross-Linked Porous Carbon Nanofiber Networks by Electrospinning Method and Their Electrochemical Capacitive Behaviors
- Jian-Jian. LU,Zong-Rong. YING,Xin-Dong. LIU,Shuang-Sheng. ZHAO
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Cross-linked porous carbon nanofiber networks were successfully prepared by electrospinning followed by preoxidation an...
- 2015, 31 (11): 2099-2108 DOI: 10.3866/PKU.WHXB201510081
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- Photoelectrochemical Properties of Hierarchical ZnO Nanosheets Micro-Nanostructure Modified with Sb2S3 Nanoparticles
- Yan-Zhong. HAO,Zhi-Min. GUO,Bao. SUN,Juan. PEI,Shang-Xin. WANG,Ying-Pin. LI
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We fabricated highly ordered ZnO nanosheet arrays on ITO substrates by adding KCl and ethylenediamine(EDA) through pote...
- 2015, 31 (11): 2109-2116 DOI: 10.3866/PKU.WHXB201509151
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- One-Step Synthesis of Reduced Graphene Oxide supported Pt Nanoparticles and Its Electrocatalytic Activity for Methanol Oxidation
- Hai-Li. GAO,Xiao-Long. LI,Wei. HE,Rui-Ting. GUO,Bo. CHAI
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In this study, graphite oxide was prepared from natural graphite powder using a modified Hummers method. Well-dispersed...
- 2015, 31 (11): 2117-2123 DOI: 10.3866/PKU.WHXB201509181
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SOFT MATTER
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- Effect of TBAB/KCl on Constructing Anionic Wormlike Micelles
- Yi-Xiu. HAN,Hong. ZHOU,Yong-Qiang. WEI,Yong-Jun. MEI,Hang. WANG
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Using rheological measurements, we investigated the wormlike micelles formed by anionic surfactants, sodium oleate (NaO...
- 2015, 31 (11): 2124-2130 DOI: 10.3866/PKU.WHXB201509112
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CATALYSIS AND SURFACE SCIENCE
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- Preparation and Application of Pt-Ni Catalysts supported on Cobalt-Polypyrrole-Carbon for Fuel Cells
- Mei-Ni. YANG,Rui. LIN,Ren-Jie. FAN,Tian-Tian. ZHAO,Hao. ZENG
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By using pulse-microwave assisted chemical reduction, we prepared a Pt-Ni alloy supported on a cobalt-polypyrrol...
- 2015, 31 (11): 2131-2138 DOI: 10.3866/PKU.WHXB201509171
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- ZSM-5 Zeolite with Micro-Mesoporous Structures Synthesized Using Different Templates for Methanol to Propylene Reaction
- Lan-Lan. ZHANG,Yu. SONG,Guo-Dong. LI,Shao-Long. ZHANG,Yun-Shan. SHANG,Yan-Jun. GONG
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ZSM-5 zeolites with different pore structures were synthesized using different templates (tetrapropyl ammonium hydroxid...
- 2015, 31 (11): 2139-2150 DOI: 10.3866/PKU.WHXB201509281
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- Growth, Electronic Structure and Thermal Stability of Ni on ZrO2(111) Thin Film Surfaces
- Yong. HAN,Qian. XU,Huan-Xin. JU,Jun-Fa. ZHU
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The growth mode, electronic structure, and thermal stability of Ni nanoparticles on thin ZrO2(111) film surf...
- 2015, 31 (11): 2151-2157 DOI: 10.3866/PKU.WHXB201510083
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- Improvement of Adsorptive Separation Performance for C2H4/C2H6 Mixture by CeO2 Promoted CuCl/Activated Carbon Adsorbents
- Jian-Dong. XING,Fang-Li. JING,Wei. CHU,Hong-Li. SUN,Lei. YU,Huan. ZHANG,Shi-Zhong. LUO
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CeO2 promoted CuCl/activated carbon (AC) adsorbents were prepared using an incipient wetness impregnation me...
- 2015, 31 (11): 2158-2164 DOI: 10.3866/PKU.WHXB201510091
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- Cu-SSZ-13 Catalyst Synthesized under Microwave Irradiation and Its Performance in Catalytic Removal of NOx from Vehicle Exhaust
- Hua-Feng. YU,Guo-Pei. ZHANG,Li-Na. HAN,Li-Ping. CHANG,Wei-Ren. BAO,Jian-Cheng. WANG
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Cu-SSZ-13 catalysts had been prepared by using a microwave irradiation (MW) method and a conventional hydrothermal (CH)...
- 2015, 31 (11): 2165-2173 DOI: 10.3866/PKU.WHXB201509184
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PHOTOCHEMISTRY AND RADIATION CHEMISTRY
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- Photoelectric Properties of Novel Amide-Functionalized Ir(III) Complexes
- Wei. SHEN,Wen-Wen. TIAN,Zheng-Jian. QI,Yue-Ming. SUN
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A series of luminescent cyclometalated Ir(III) complexes functionalized with amide derivatives were prepared and compar...
- 2015, 31 (11): 2174-2182 DOI: 10.3866/PKU.WHXB201510084
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- Strong Single-Band Down-Conversion Emission in Tm3+-Doped NaYF4 Microparticles
- Chun-Long. XU,Jin-Guo. WANG,Xiang-Yu. ZHANG
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We synthesized Tm3+-doped NaYF4 microcrystals with various length-to-diameter ratios by using a f...
- 2015, 31 (11): 2183-2190 DOI: 10.3866/PKU.WHXB201509142
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BIOPHYSICAL CHEMISTRY
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- Accurate Activity Predictions of B-Raf Type II Inhibitors via Molecular Docking and QSAR Methods
- Hai-Chun. LIU,Shuai. LU,Ting. RAN,Yan-Min. ZHANG,Jin-Xing. XU,Xiao. XIONG,An-Yang. XU,Tao. LU,Ya-Dong. CHEN
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B-Raf kinase plays an important role in the mitogen-activated protein kinase (MAPK) signaling transmission pathway and ...
- 2015, 31 (11): 2191-2206 DOI: 10.3866/PKU.WHXB201510134
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PHYSICAL CHEMISTRY OF MATERIALS
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- Finely Controlling the Diameter of the TiO2 Nanowire Array by Micelles in the Reversed Micelle Reaction under Hydrothermal Condition
- Jie. YANG,Yu-He. LI,Hai-Long. HU
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We establish a model for growing titania nanowires arrays (TNAs) within micelles on the hydrophilic substrate of fluori...
- 2015, 31 (11): 2207-2212 DOI: 10.3866/PKU.WHXB201509152
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- Preparation and Optimization of Vertically Arrayed Zinc Oxide Nanorods
- Juan. MA,Feng-Dan. SONG,Ze-Qi. ZHOU,Sui-Tao. QI,Chun-Hai. YI,Bo-Lun. YANG
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A two-step method for growing vertical zinc oxide nanorod arrays on indium tin oxide (ITO)-coated glass substrates is p...
- 2015, 31 (11): 2213-2219 DOI: 10.3866/PKU.WHXB201509301
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- Preparation and Supercapacitor Properties of Carbon-Coated SnO2 Hollow Fibers
- Xiao-Mei. HAN,Yan-Bo. WU,Heng-Yan. ZHAO,Jun. BI,Bin-Bin. WEI
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A new carbon-coated SnO2 hollow fiber was successfully prepared by coaxial electrospinning, and its supercap...
- 2015, 31 (11): 2220-2228 DOI: 10.3866/PKU.WHXB201510131
