Acta Phys Chim Sin 2013, Vol.29 No.06

Acta Physico-Chimica Sinica (Wuli Huaxue Xuebao) - 2013, Vol.29 No.06 Online: 17 May 2013

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Table of Contents
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS

Table of Contents

Cover and Table of Contents for Vol.29 No. 6

2013, 29 (06): 0-0
Abstract ( 510 )

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REVIEW

Latest Studies on Metal-Molecule-Metal Junctions

LI Jian-Chang, WU Jun-Zhi, ZHOU Cheng, GONG Xing

2013, 29 (06): 1123-1144

doi: 10.3866/PKU.WHXB201304014

Publication Date (Web): 2013-04-01
Abstract ( 1143 )

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Latest Studies on Metal-Molecule-Metal Junctions

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

Molecular Dynamics Study of the Effect of H₂O on the Thermal Decomposition of α Phase CL-20

ZHANG Li, CHEN Lang, WANG Chen, WU Jun-Ying

2013, 29 (06): 1145-1153

doi: 10.3866/PKU.WHXB201303221

Publication Date (Web): 2013-03-22
Abstract ( 1198 )

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Molecular Dynamics Study of the Effect of H<sub>2</sub>O on the Thermal Decomposition of α Phase CL-20

Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion

ZHENG Dong, ZHANG Yun-Peng, ZHONG Bei-Jing

2013, 29 (06): 1154-1160

doi: 10.3866/PKU.WHXB201303201

Publication Date (Web): 2013-03-20
Abstract ( 960 )

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Chemical Kinetic Model for Polycyclic Aromatic Hydrocarbon Formation during Gasoline Surrogate Fuel Combustion

Mechanism and Thermodynamic Properties of CH₃SO₃ Decomposition

CAO Jia, WANG Wen-Liang, GAO Lou-Jun, FU Feng

2013, 29 (06): 1161-1167

doi: 10.3866/PKU.WHXB201304021

Publication Date (Web): 2013-04-02
Abstract ( 916 )

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Mechanism and Thermodynamic Properties of CH<sub>3</sub>SO<sub>3</sub> Decomposition

Synthesis and Structural Transformations of (Gd_1-xCe_x)₂Zr₂O_7+x: An Analogue for Pu Immobilization

ZHAO Pei-Zhu, LI Lin-Yan, XU Sheng-Ming, ZHANG Qin

2013, 29 (06): 1168-1172

doi: 10.3866/PKU.WHXB201304013

Publication Date (Web): 2013-04-01
Abstract ( 748 )

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Synthesis and Structural Transformations of (Gd<sub>1-<em>x</em></sub>Ce<em><sub>x</sub></em>)<sub>2</sub>Zr<sub>2</sub>O<sub>7+<em>x</em></sub>: An Analogue for Pu Immobilization

Site-Preference of Uracil and Thymine Hydrogen Bonding to Quercetin

WANG Chang-Sheng, LIU Peng, YU Nan

2013, 29 (06): 1173-1182

doi: 10.3866/PKU.WHXB201303153

Publication Date (Web): 2013-03-15
Abstract ( 895 )

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Site-Preference of Uracil and Thymine Hydrogen Bonding to Quercetin

Mirror Symmetry Breaking and Absolute Configuration Correlations of Fe(III) Complexes with Achiral Substituted o-Iminobenzosemiquinonato Ligands

ZHAO Lei, WAN Shi-Gang, CHEN Cheng-Dong, LIN Yi-Ji, FANG Xue-Ming, ZHANG Hui

2013, 29 (06): 1183-1191

doi: 10.3866/PKU.WHXB201304122

Publication Date (Web): 2013-04-12
Abstract ( 741 )

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Mirror Symmetry Breaking and Absolute Configuration Correlations of Fe(III) Complexes with Achiral Substituted o-Iminobenzosemiquinonato Ligands

THEORETICAL AND COMPUTATIONAL CHEMISTRY

HQSAR Study and Molecular Design of Benzimidazole Derivatives as Corrosion Inhibitors

SUN Sang-Dun, MI Si-Qi, YOU Jing, YU Ji-Liang, HU Song-Qing, LIU Xin-Yong

2013, 29 (06): 1192-1200

doi: 10.3866/PKU.WHXB201303154

Publication Date (Web): 2013-03-15
Abstract ( 947 )

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HQSAR Study and Molecular Design of Benzimidazole Derivatives as Corrosion Inhibitors

Surface Hydrophilicity of Spherical Micelle from Self-Assembly of Random Copolymer: A Dissipative Particle Dynamics Simulation

CHEN Mei-Ling, WANG Li-Xiang, CHEN Shan-Shan, LIU Xiao-Ya

2013, 29 (06): 1201-1208

doi: 10.3866/PKU.WHXB201303202

Publication Date (Web): 2013-03-20
Abstract ( 1074 )

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Surface Hydrophilicity of Spherical Micelle from Self-Assembly of Random Copolymer: A Dissipative Particle Dynamics Simulation

Comparison of the Poisson-Boltzmann and Donnan Models for Calculating the Ion Equilibrium between Compacted Bentonite Porewater and External Solution

TIAN Wen-Yu, LIU Xiao-Yu, LI Chun, WANG Lu-Hua, ZHENG Zhong, LIU Chun-Li

2013, 29 (06): 1209-1218

doi: 10.3866/PKU.WHXB201304031

Publication Date (Web): 2013-04-03
Abstract ( 698 )

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Comparison of the Poisson-Boltzmann and Donnan Models for Calculating the Ion Equilibrium between Compacted Bentonite Porewater and External Solution

B₂Au₂^0/-/2-: Multiple Boron-Boron Bonds in Diboron Aurides

YAO Wen-Zhi, YAO Jian-Bin, LI Xin-Bao, LI Si-Dian

2013, 29 (06): 1219-1224

doi: 10.3866/PKU.WHXB201303152

Publication Date (Web): 2013-03-15
Abstract ( 1628 )

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B<sub>2</sub>Au<sub>2</sub><sup>0/-/2-</sup>: Multiple Boron-Boron Bonds in Diboron Aurides

Effects of Electric Field on the Structures of Metal String Complexes M₃(dpa)₄Cl₂ (M=Co, Rh, Ir; dpa=dipyridylamide)

HUANG Yan, HUANG Xiao, XU Xuan

2013, 29 (06): 1225-1232

doi: 10.3866/PKU.WHXB201303181

Publication Date (Web): 2013-03-18
Abstract ( 808 )

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Effects of Electric Field on the Structures of Metal String Complexes M<sub>3</sub>(dpa)<sub>4</sub>Cl<sub>2</sub> (M=Co, Rh, Ir; dpa=dipyridylamide)

Double-Proton-Transfer Reaction in Guanine-Cytosine Base Pair Embedded in B-Form DNA

LIN Yue-Xia, WANG Hong-Yan, GAO Si-Min, WU Ying-Xi, LI Ru-Hu

2013, 29 (06): 1233-1239

doi: 10.3866/PKU.WHXB201304022

Publication Date (Web): 2013-04-02
Abstract ( 1096 )

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Double-Proton-Transfer Reaction in Guanine-Cytosine Base Pair Embedded in B-Form DNA

ELECTROCHEMISTRY AND NEW ENERGY

Electron Injection and Photovoltaic Properties in CdSe/ZnS Quantum Dot Sensitized Solar Cells

GUO Xu-Dong, Ma Bei-Bei, WANG Li-Duo, GAO Rui, DONG Hao-Peng, QIU Yong

2013, 29 (06): 1240-1246

doi: 10.3866/PKU.WHXB201303261

Publication Date (Web): 2013-03-26
Abstract ( 1113 )

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Electron Injection and Photovoltaic Properties in CdSe/ZnS Quantum Dot Sensitized Solar Cells

Synthesis and Electrochemical Performance of Li₄Ti₅O₁₂/CMK-3 Nanocomposite Negative Electrode Materials for Lithium-Ion Batteries

WU Hong-Bin, ZHANG Ying, YUAN Cong-Li, WEI Xiao-Pei, YIN Jin-Ling, WANG Gui-Ling, CAO Dian-Xue, ZHANG Yi-Ming, YANG Bao-Feng, SHE Pei-liang

2013, 29 (06): 1247-1252

doi: 10.3866/PKU.WHXB201303211

Publication Date (Web): 2013-03-21
Abstract ( 1308 )

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Synthesis and Electrochemical Performance of Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub>/CMK-3 Nanocomposite Negative Electrode Materials for Lithium-Ion Batteries

SOFT MATTER

Aggregation Behavior of Branched Block Polyethers at Interface and Their Demulsification for Crude Oil Emulsion

ZHAI Xue-Ru, LIU Teng, XU Gui-Ying, TAN Guo-Rong, Lü Xin, ZHANG Jian

2013, 29 (06): 1253-1259

doi: 10.3866/PKU.WHXB201303251

Publication Date (Web): 2013-03-25
Abstract ( 811 )

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Aggregation Behavior of Branched Block Polyethers at Interface and Their Demulsification for Crude Oil Emulsion

Experimental Measurements of the Surface Effective Charge of Colloidal Particles

ZHOU Hong-Wei, MI Li, LIU Li-Xia, XU Sheng-hua, SUN Zhi-Wei

2013, 29 (06): 1260-1265

doi: 10.3866/PKU.WHXB201303262

Publication Date (Web): 2013-03-26
Abstract ( 1197 )

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Experimental Measurements of the Surface Effective Charge of Colloidal Particles

CATALYSIS AND SURFACE SCIENCE

Preparation of Pentaethylenehexamine-Functionalized Mesocellular Silica Foams and Their Application for CO₂ Adsorption

FENG Xing-Xing, XIE Jing, HU Geng-Shen, JIA Ai-Ping, XIE Guan-Qun, LUO Meng-Fei

2013, 29 (06): 1266-1272

doi: 10.3866/PKU.WHXB201304091

Publication Date (Web): 2013-04-09
Abstract ( 1230 )

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Preparation of Pentaethylenehexamine-Functionalized Mesocellular Silica Foams and Their Application for CO<sub>2</sub> Adsorption

Influence of Surface Acidity of Y Zeolites on the Adsorption of Organic Molecules by In situ Fourier Transform Infrared Spectroscopy

ZHANG Xiao-Tong, YU Wen-Guang, QIN Yu-Cai, DONG Shi-Wei, PEI Ting-Ting, WANG Lin, SONG Li-Juan

2013, 29 (06): 1273-1280

doi: 10.3866/PKU.WHXB201303183

Publication Date (Web): 2013-03-18
Abstract ( 1117 )

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Influence of Surface Acidity of Y Zeolites on the Adsorption of Organic Molecules by <em>In situ</em> Fourier Transform Infrared Spectroscopy

Influence of Catalyst Acidity on Dealkylation, Isomerization and Alkylation in MTA Process

ZHANG Jin-Gui, QIAN Wei-Zhong, TANG Xiao-Ping, SHEN Kui, WANG Tong, HUANG Xiao-Fan, WEI Fei

2013, 29 (06): 1281-1288

doi: 10.3866/PKU.WHXB201304101

Publication Date (Web): 2013-04-10
Abstract ( 1792 )

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Influence of Catalyst Acidity on Dealkylation, Isomerization and Alkylation in MTA Process

Effects of Preparation Methods on the Catalytic Performance of Selective Catalytic Reduction of NO with CH₄ over Co-MOR Catalysts

LI Bin WANG Hong DING Fu-Chen LI Cui-Qing SONG Yong-Ji KE Ming REN Cui-Tao

2013, 29 (06): 1289-1296

doi: 10.3866/PKU.WHXB201304162

Publication Date (Web): 2013-04-16
Abstract ( 1389 )

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Effects of Preparation Methods on the Catalytic Performance of Selective Catalytic Reduction of NO with CH<sub>4</sub> over Co-MOR Catalysts

Well-Dispersed Platinum Nanoparticles Supported on Nitrogen-Doped Hollow Carbon Microspheres for Oxygen-Reduction Reaction

ZHANG Xiao-Hua, ZHONG Jin-Di, YU Ya-Ming, ZHANG Yun-Song, LIU Bo, CHEN Jin-Hua

2013, 29 (06): 1297-1304

doi: 10.3866/PKU.WHXB201304011

Publication Date (Web): 2013-04-01
Abstract ( 1388 )

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Well-Dispersed Platinum Nanoparticles Supported on Nitrogen-Doped Hollow Carbon Microspheres for Oxygen-Reduction Reaction

Structure, Characterization and Photocatalytic Properties of TiO₂ Doped with Different Content of Sn⁴⁺ Ions

ZHANG Peng, ZHAO Lu Song, YAO Jiang Hong, CAO Ya An

2013, 29 (06): 1305-1312

doi: 10.3866/PKU.WHXB201303182

Publication Date (Web): 2013-03-18
Abstract ( 918 )

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Structure, Characterization and Photocatalytic Properties of TiO<sub>2</sub> Doped with Different Content of Sn<sup>4+</sup> Ions

Hydrothermal Synthesis and Activity of NiS-PdS/CdS Catalysts for Photocatalytic Hydrogen Evolution under Visible Light Irradiation

LIN Pei-Bin, YANG Yu, CHEN Wei, GAO Han-Yang, CHEN Xiao-Ping, YUAN Jian, SHANGGUAN Wen-Feng

2013, 29 (06): 1313-1318

doi: 10.3866/PKU.WHXB201303141

Publication Date (Web): 2013-03-14
Abstract ( 1348 )

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Hydrothermal Synthesis and Activity of NiS-PdS/CdS Catalysts for Photocatalytic Hydrogen Evolution under Visible Light Irradiation

Effect of Designed Zr/Ti Molar Ratio on the Photocatalytic Activity of Sr-Zr-Ti Mixed Oxide Catalysts under Visible Light

HUANG Hai-Feng, JIA Jian-Ming, LU Han-Feng, ZHANG Hong-Hua, PAN Lie-Qun

2013, 29 (06): 1319-1326

doi: 10.3866/PKU.WHXB201304012

Publication Date (Web): 2013-04-01
Abstract ( 659 )

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Effect of Designed Zr/Ti Molar Ratio on the Photocatalytic Activity of Sr-Zr-Ti Mixed Oxide Catalysts under Visible Light

Surface Modification of CNTs and Improved Photocatalytic Activity of TiO₂-CNTs Heterojunction

YANG Han-Pei, ZHANG Ying-Chao, FU Xiao-Fei, SONG Shuang-Shuang, WU Jun-Ming

2013, 29 (06): 1327-1335

doi: 10.3866/PKU.WHXB201303212

Publication Date (Web): 2013-03-21
Abstract ( 1361 )

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Surface Modification of CNTs and Improved Photocatalytic Activity of TiO<sub>2</sub>-CNTs Heterojunction

BIOPHYSICAL CHEMISTRY

Investigation of the Non-Covalent Interactions between Fragment Peptides of Bradykinin by Mass Spectrometry

CHEN Chen, CHU Yan-Qiu, DAI Xin-Hua, FANG Xiang, DING Chuan-Fan

2013, 29 (06): 1336-1343

doi: 10.3866/PKU.WHXB201303155

Publication Date (Web): 2013-03-15
Abstract ( 680 )

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Investigation of the Non-Covalent Interactions between Fragment Peptides of Bradykinin by Mass Spectrometry

PHYSICAL CHEMISTRY OF MATERIALS

Hydrothermal Synthesis and Photocatalytic Activity of Partially Reduced Graphene Oxide/TiO₂ Composite

LONG Mei, CONG Ye, LI Xuan-Ke, CUI Zheng-Wei, DONG Zhi-Jun, YUAN Guan-Ming

2013, 29 (06): 1344-1350

doi: 10.3866/PKU.WHXB201303263

Publication Date (Web): 2013-03-26
Abstract ( 2149 )

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Hydrothermal Synthesis and Photocatalytic Activity of Partially Reduced Graphene Oxide/TiO<sub>2</sub> Composite

Synthesis and Photoelectric Properties of a New Phosphorescent Host Material Based on Carbazole

YANG Ting-Ting, XU Hui-Xia, WANG Hua, MIAO Yan-Qin, DU Xiao-Gang, JING Shu, XU Bing-She

2013, 29 (06): 1351-1356

doi: 10.3866/PKU.WHXB201303281

Publication Date (Web): 2013-03-28
Abstract ( 705 )

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Synthesis and Photoelectric Properties of a New Phosphorescent Host Material Based on Carbazole

Preparation and Luminescence Properties of MZrO₃:Eu³⁺,A (M=Ca²⁺, Ba²⁺; A=Li⁺, Na⁺, K⁺) Phosphors with Perovskite Structure

MARí B., CEMBRERO-COCA P., SINGH K. C., KAUSHIK R. D., OM Hari

2013, 29 (06): 1357-1362

doi: 10.3866/PKU.WHXB201304032

Publication Date (Web): 2013-04-03
Abstract ( 1141 )

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Preparation and Luminescence Properties of MZrO<sub>3</sub>:Eu<sup>3+</sup>,A (M=Ca<sup>2+</sup>, Ba<sup>2+</sup>; A=Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>) Phosphors with Perovskite Structure

Monthly, Started in 1985

Supervised By:	CAST
Sponsored By:	CCS PKU
Published By:	APCS, CCME, PKU
Honorary Editor-in-Chief:	TANG You-Qi
Editor-in-Chief:	LIU Zhong-Fan
Associate Editor-in-Chief:	HAN Bu-Xing LIU Ming-Hua
	SHEN Wen-Jie WU Kai
	YANG Jin-Long ZHUANG Lin
	CHI Li-Feng

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