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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2006 Vol. 22,No. 07
Published: 27 June 2006
Current column
ARTICLE
Note
Review
ARTICLE
Molecular Dynamics Simulation of the Structure Transformation before and after Ni Melting
HOU Huai-Yu;CHEN Guo-Liang;CHEN Guang
A series of molecular dynamics simulations for the structure transformation during heating and melting of FCC Ni have be...
2006, 22 (07): 771-776.
DOI: 10.3866/PKU.WHXB20060701
9893
Abstract/Metrics
5250
PDF(604KB)
Recognition of Cell Surface Proteins by High-density Phage Antibody Chip
CEN Xiao-Dong;WANG Wen-Juan;ZHAO Xin-Sheng;WANG Xuan;SHEN Ti;TAN Tao-Chao;BI Qun;ZHU Sheng-Geng
A large human phage antibody library was subjected for panning with leukocytes from healthy donors and leukemia patients...
2006, 22 (07): 777-779.
DOI: 10.3866/PKU.WHXB20060702
7276
Abstract/Metrics
4800
PDF(172KB)
Study on the Characteristics of the Ground States and Excited States of He
2
+
and He
2
++
Molecule Ions
ZHANG Yun-Guang;GAO Tao;LI Gui-Xia;ZHANG Chuan-Yu;CHEN Dong;ZHU Zheng-He
The molecule structures for the ground and low-lying states of He2+ and He2++ are calculated using the SAC/SAC-CI with t...
2006, 22 (07): 780-785.
DOI: 10.3866/PKU.WHXB20060703
6320
Abstract/Metrics
4595
PDF(217KB)
Two-step Consecutive Reaction Model of Biomass Thermal Decomposition by DSC
CHEN Hai-Xiang;LIU Nai-An;FAN Wei-Cheng
The thermal decomposition of one kind of biomass in air has been investigated by differential scanning calorimetry (DSC)...
2006, 22 (07): 786-790.
DOI: 10.1016/S1872-1508(06)60031-4
5788
Abstract/Metrics
4350
PDF(237KB)
Influences of Titania Concentration on the Structure and the Three-order Nonlinear Optical Properties of Core-shell Ag/TiO
2
Nanocomposites
YANG Ying;GONG Chu-Qing;XIAO Si;GONG Hong-Mei;WANG Qu-Quan;ZHONG Jia-Cheng
Core-shell Ag/TiO2 nanocomposites with different TiO2 concentration were synthesized by the photoreduction method, in th...
2006, 22 (07): 791-796.
DOI: 10.1016/S1872-1508(06)60032-6
6828
Abstract/Metrics
4937
PDF(936KB)
Density Functional Studies on Formamide′s Water-influenced Proton Transfer in Solution
LIANG Wan-Chun;LI Hao-Ran;HU Xing-Bang;HAN Shi-Jun
The interconversion process between keto and enol forms of formamide (FM→FA) can be regarded as a model for tautomerizat...
2006, 22 (07): 797-803.
DOI: 10.3866/PKU.WHXB20060706
6166
Abstract/Metrics
4325
PDF(341KB)
Preparation of Nanometer Magnesia with High Surface Area and Study on the Influencing Factors of the Preparation Process
GUAN Hong-Bo;WANG Pei;WANG Hui;ZHAO Bi-Ying;ZHU Yue-Xiang;XIE You-Chang
Three kinds of MgC2O4•2H2O were prepared by precipitation method with different raw materials, and MgO with high su...
2006, 22 (07): 804-808.
DOI: 10.1016/S1872-1508(06)60033-8
6440
Abstract/Metrics
4963
PDF(457KB)
In situ
FT-IR Study on the Direct Gas Phase Epoxidation of Propylene over Ag-MoO
3
Catalyst
JIN Guo-Jie;GUO Yang-Long;LIU Xiao-Hui;YAO Wei;GUO Yun;WANG Yun-Song;YUAN Fang;LU Guan-Zhong
The Ag-MoO3 catalyst for direct gas phase epoxidation of propylene was prepared, and in situ FT-IR technology was used t...
2006, 22 (07): 809-814.
DOI: 10.1016/S1872-1508(06)60034-X
6671
Abstract/Metrics
4143
PDF(281KB)
The NO
x
Oxidation-Storage and Tolerance of SO
2
Poison of Mn/Ba/Al
2
O
3
Catalyst
XIAO Jian-Hua;LI Xue-Hui;DENG Sha;XU Jian-Chang;WANG Le-Fu
The performance of NOx oxidation-storage and desorption over Mn/Ba/Al2O3 catalyst were investigated at different tempera...
2006, 22 (07): 815-819.
DOI: 10.3866/PKU.WHXB20060709
6435
Abstract/Metrics
4077
PDF(241KB)
Density Functional Theory Studies on Ethanol Physisorption on Ultrafine Silica
ZHANG Zhi-Qiang;QU Yi-Xin;REN Hui
The surface geometries of ultrafine silica and its adsorption property for ethanol had been studied by density functiona...
2006, 22 (07): 820-825.
DOI: 10.3866/PKU.WHXB20060710
8230
Abstract/Metrics
6177
PDF(726KB)
Influence of Thermal Initiators on the Electrochemical Performances of Gel Polymer Electrolytes
TANG Ding-Guo;CI Yun-Xiang;QI Lu
Two thermal polymerization initiators, 2,2′-azobisisobutyronitrile(AIBN) and benzoyl peroxide(BPO), commonly used to pre...
2006, 22 (07): 826-830.
DOI: 10.3866/PKU.WHXB20060711
7255
Abstract/Metrics
4517
PDF(199KB)
Preparation of Macroporous Al
2
O
3
by Template Method
WANG Xiao-Dong;DONG Peng;CHEN Sheng-Li
Macroporous material of Al2O3 was prepared through mixing a Al2O3 sol with polystyrene (PS) particles as templates, dryi...
2006, 22 (07): 831-835.
DOI: 10.1016/S1872-1508(06)60035-1
6372
Abstract/Metrics
5098
PDF(2089KB)
DFT Study on Second-order Nonlinear Optical Properties of a Series of Three-dimensional Cobalt(II) Metal Complexes
QIU Yong-Qing;LIU Chun-Guang;CHEN Hui;SU Zhong-Min;YANG Guo-Chun;WANG Rong-Shun
To design three-dimensional cobalt(II) metal complexes and Schiff base ligands, the geometry was taken from the starting...
2006, 22 (07): 836-839.
DOI: 10.1016/S1872-1508(06)60036-3
6948
Abstract/Metrics
4295
PDF(514KB)
One-step Solid-state Synthesis and Electrochemical Performance of Nb-doped LiFePO
4
/C
ZHUANG Da-Gao;ZHAO Xin-Bing;XIE Jian;TU Jian;ZHU Tie-Jun;CAO Gao-Shao
Nb-doped LiFePO4/C was synthesized using one-step solid-state method. The effect of Nb contents on the electrochemical p...
2006, 22 (07): 840-844.
DOI: 10.1016/S1872-1508(06)60037-5
7610
Abstract/Metrics
5176
PDF(583KB)
Phase Separation in Nonaqueous Mixed Solvents Induced by Quaternary Ammonium Surfactants
LIU Jin-Yan;ZHAO Jian-Xi;CHEN Zhe
When a quaternary ammonium surfactant has a suitable solubility in a polar solvent, it can induce the phase self-separat...
2006, 22 (07): 845-850.
DOI: 10.1016/S1872-1508(06)60038-7
5881
Abstract/Metrics
4139
PDF(236KB)
Study of Ni Composite Anodes for Dimethyl Ether Fuel Cell
GAO Jie;WANG Shi-Zhong
Series of Ni-Fe-La0.8Sr0.2Ga0.8Mg0.115Co0.085O3 (LSGMC8.5) composite anodes were prepared and characterized for solid ox...
2006, 22 (07): 851-855.
DOI: 10.3866/PKU.WHXB20060716
7508
Abstract/Metrics
4628
PDF(815KB)
Note
Study on Crystal Structure of [Ni(phen)
3
](ClO
4
)
2
CHEN Hu;XU Xing-You;GAO Jian;YANG Xu-Jie;LU Lu-De;WANG Xin
A new complex [Ni(phen)3](ClO4)2 was synthesized by transition metal Ni2+ with phen(1,10-phenanthroline). The crystal st...
2006, 22 (07): 856-859.
DOI: 10.3866/PKU.WHXB20060717
6620
Abstract/Metrics
4481
PDF(614KB)
Effect of Na-doping on CO
2
Absorption of Li
4
SiO
4
WANG Yin-Jie;QI Lu;DAI Ke-Hua
Sodium-doped lithium silicate as CO2 absorbent at 500 ℃ to 750 ℃ was prepared by high-temperature solid-state reaction. ...
2006, 22 (07): 860-863.
DOI: 10.3866/PKU.WHXB20060718
6484
Abstract/Metrics
4159
PDF(497KB)
Theoretical Study on Dissociation of Two Alkyl Iodides and Measurement of Emission Spectra
CHENG Li;SHEN Zuo-Chun;LU Jian-Ye;GAO Hui-De;LU, Zhi-Wei
The potential energy curves of two alkyl iodides, C2H2F3I and n-C3H4F3I, are calculated with B3LYP method and dissociati...
2006, 22 (07): 864-867.
DOI: 10.3866/PKU.WHXB20060719
5720
Abstract/Metrics
4035
PDF(184KB)
Electrochemistry of Immobilized Horseradish Peroxidase in Organic Solvents/Water Mixture
LIU Hui-Hong;WAN Yong-Qing;CHEN Xian-Tang;ZOU Guo-Lin
Horseradish peroxidase (HRP) was immobilized on glassy carbon electrode (GCE) surface by konjac glucomannan (KGM). HRP e...
2006, 22 (07): 868-872.
DOI: 10.3866/PKU.WHXB20060720
7038
Abstract/Metrics
4340
PDF(260KB)
Study on the Evolvement of Structure in Synthesis of Urea-Formaldehyde Resins by FTIR
LI Ai-Ping;KAN Cheng-You;DU Yi;LIU De-Shan
By means of Fourier transform infrared(FTIR) spectroscopy, the structure development of urea-formaldehyde (UF) resins in...
2006, 22 (07): 873-877.
DOI: 10.3866/PKU.WHXB20060721
8937
Abstract/Metrics
6121
PDF(248KB)
Structure Characteristic of Amorphous BCN System by Molecular Dynamics Simulation
YE Ya-Jing;ZHANG Li-Tong;CHENG Lai-Fei;XU Yong-Dong
Molecular dynamics simulations on amorphous BCN system were carried out in order to investigate the structure character ...
2006, 22 (07): 878-882.
DOI: 10.3866/PKU.WHXB20060722
6753
Abstract/Metrics
4399
PDF(641KB)
Novel Gas Diffusion Electrode System for Effective Production of Hydrogen Peroxide
YU Qing-Hong;ZHOU Ming-Hua;LEI Le-Cheng
Hydrogen peroxide production via cathodic reduction of oxygen on self-made gas diffusion electrode was studied in an und...
2006, 22 (07): 883-887.
DOI: 10.3866/PKU.WHXB20060723
6824
Abstract/Metrics
5344
PDF(266KB)
Critical Crossover Phenomena in Ternary Solutions of Water+3-methylpyridine+Sodium Bromide
GAO Xue-Yi;AN Xue-Qin;WANG Nong;MA Xing-Ke;SHEN Wei-Guo
The critical phenomena of water + 3-methylpyridine + sodium bromide system, with the mass fractions of sodium bromide, 3...
2006, 22 (07): 888-890.
DOI: 10.3866/PKU.WHXB20060724
6113
Abstract/Metrics
3751
PDF(430KB)
Avoidance of Undesirable By-product of Tar Formed in Hydroxylation of Phenol and Benzene with H2O2 by Introduction of Competitive Reaction
MENG Xiang-Ju;JIANG Da-Zhen;XIAO Feng-Shou
It is shown here that, by introduction of competitive reaction, the formation of tar in hydroxylation of aromatics can b...
2006, 22 (07): 891-894.
DOI: 10.3866/PKU.WHXB20060725
5852
Abstract/Metrics
4462
PDF(247KB)
High Temperature Performance of Ni-MH Positive Electrode Added with Na
2
WO
4
TANG Zhi-Yuan;ZHANG Xiao-Yang;LIU Yuan-Gang;LIU Yong
Different contents of Na2WO4 reagents were added to nickel positive electrode to enhance its high temperature performanc...
2006, 22 (07): 895-898.
DOI: 10.3866/PKU.WHXB20060726
6835
Abstract/Metrics
4115
PDF(192KB)
Review
Recent Progresses in the Combinatorial Materials Science
GAO Chen;BAO Jun;LUO Zhen-Lin;LIU Wen-Han
Recent progresses in the combinatorial materials science were reviewed. Firstly, the basic concept and history of combin...
2006, 22 (07): 899-912.
DOI: 10.3866/PKU.WHXB20060727
6968
Abstract/Metrics
5083
PDF(7046KB)