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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2003 Vol. 19,No. 04
Published:15 April 2003
Date of publication: 15 April 2003
Current column
Communication
ARTICLE
Note
Communication
Parameters of GB/SA Solvation Model Consistent with AMBER Force Field
Zhang Wei;Hou Ting-Jun;Qiao Xue-Bin;Xu Xiao-Jie
A new set of parameters consistent with AMBER force field for generalized Born model was proposed. The new set of parame...
2003, 19 (04): 289-292.
DOI: 10.3866/PKU.WHXB20030401
4666
Abstract/Metrics
3029
PDF(1155KB)
ARTICLE
Potential Energy Function of the Excited States of Some Halogen Diatomic Molecules
Liu Guo-Yue;Sun Wei-Guo;Feng Hao
Potential energy curves for the excited states of some halogen diatomic molecules have been studied using the energy-con...
2003, 19 (04): 293-296.
DOI: 10.3866/PKU.WHXB20030402
4102
Abstract/Metrics
3150
PDF(1679KB)
Influences of Demulsifiers with Different Structures on Dilational Properties of Decane/Water Interface
Wang Yi-Yang;Zhang Lu;Sun Tao-Lei;Fang Hong-Bo;Zhao Sui;Yu Jia-Yong
The dilational viscoelasticity properties of decane-water interface containing two demulsifiers with straight chain SP16...
2003, 19 (04): 297-301.
DOI: 10.3866/PKU.WHXB20030403
3939
Abstract/Metrics
3545
PDF(1850KB)
The Research of a Novel Kind of Chiral Surfactant
Huang Jian-Bin;Gao Qiang;Wang Chuan-Zhong
A pair of optical isomerism amphiphlic molecules L-C10HL(N-(4-decaoxygen- 2-hydroxybenzene methylene)-L-leucine) and D-C...
2003, 19 (04): 302-306.
DOI: 10.3866/PKU.WHXB20030404
4237
Abstract/Metrics
2738
PDF(1779KB)
The Application of Poly (1-aminoanthraquinone) for Positive Electrode Material in Lithium Secondary Battery
Tang Zhi-Yuan;Xu Guo-Xiang
Poly(1-aminoanthraquinone) is synthesized by chemical method and used as positive electrode in rechargeable lithium batt...
2003, 19 (04): 307-310.
DOI: 10.3866/PKU.WHXB20030405
4808
Abstract/Metrics
3517
PDF(1764KB)
Synthesis and Applications of Florescence-Doped Silica Nanoparticles
Zhu Shi-Guo;Tang Ke;Xiang Juan-Juan;Lü Hong-Bin;Li Xiao-Ling;Nie Xin-Min;Zhou Hou-De;Shen Shou-Rong;Li Gui-Yuan
The fluorescence-doped silica nanoparticles (FDS-NP) were synthesized in a microemulsion system of polyoxyethylene nonyl...
2003, 19 (04): 311-314.
DOI: 10.3866/PKU.WHXB20030406
4204
Abstract/Metrics
3179
PDF(1789KB)
Kinetics of Formation of ZnSe Nanocrystals under Linear Temperature Increase Condition
Li Huan-Yong;Hu Rong-Zu;Zhang Hong;Jie Wan-Qi
The kinetics of formation of ZnSe nanocrystals from the complex ZnSe (C2H8N2) has been investigated by means of non-isot...
2003, 19 (04): 315-319.
DOI: 10.3866/PKU.WHXB20030407
3858
Abstract/Metrics
3334
PDF(1451KB)
Study on Spectra Properties of Chiral Dinuclear Salen Complex
Hu Guo-Hang;Ruan Wen-Juan;Zhang Yu-Ling;Han Hua;Zhu Zhi-Ang
Four novel chiral dinuclear Salen complexes [(Cu)2L•H2O(2), (Ni)2L(3), (Zn)2L•H2O(4), (MnCl)2L•2H2O(5)...
2003, 19 (04): 320-325.
DOI: 10.3866/PKU.WHXB20030408
3604
Abstract/Metrics
3278
PDF(1633KB)
Synthesis of Mesoporous Zirconia with Hydrothermal Homogeneous Precipitation Method
Cheng Hu-Min;Ma Yu-Rong;Liao Fu-Hui;Ma Ji-Ming;Qi Li-Min
Using urea as homogeneous precipitant, the precursor of mesoporous zirconia was synthesized by hydrothermal method. Afte...
2003, 19 (04): 326-328.
DOI: 10.3866/PKU.WHXB20030409
4451
Abstract/Metrics
3029
PDF(1422KB)
Photocatalytic Production of Hydrogen with Degrading Pollutants and Characterization by in situ Infrared Spectroscopy
Li Yue-Xiang;Lu Gong-Xuan;Li Shu-Ben;Dong Lu-Hu
The photocatalytic generation of hydrogen from water using single and binary component pollutants as electron donors in ...
2003, 19 (04): 329-333.
DOI: 10.3866/PKU.WHXB20030410
5531
Abstract/Metrics
3301
PDF(1840KB)
Prediction of Cloud Point of Nonionic Surfactants Using Quantitative Structure-Property Relationship Method
Yuan Shi-Ling;Cai Zheng-Ting;Xu Gui-Ying;Wang Wei
The quantitative structure-property relationship(QSPR) was used to predict cloud point of nonionic surfactants. Several ...
2003, 19 (04): 334-337.
DOI: 10.3866/PKU.WHXB20030411
4000
Abstract/Metrics
2819
PDF(1255KB)
Quantum Chemistry Calculation on the Alcoholysis of Dichloromethylsilane
Li Feng-Yi;Xu Wen-Yuan;Yu Jun-Wen
The alcoholysis of dichloromethylsilane has been studied experimentally and theoretically, the first and the second step...
2003, 19 (04): 338-341.
DOI: 10.3866/PKU.WHXB20030412
4418
Abstract/Metrics
3307
PDF(1447KB)
Studies on PEMFC Electrocatalysts: Physicochemical Characterization of Homemade Pt/C Electrocatalyst
Li Li;Wang Heng-Xiu;Xu Bo-Qing;Li Jin-Lu;Xing Wei;Mao Zong-Qiang
A homemade Pt/C electrocatalyst(named as THYT-1) for proton-exchange membrane fuel cell(PEMFC) was prepared and characte...
2003, 19 (04): 342-346.
DOI: 10.3866/PKU.WHXB20030413
4576
Abstract/Metrics
3175
PDF(1617KB)
Structure of Carbon Nanotubes from Decomposition of Methane on an Aerogel Catalyst
Piao Ling-Yu;Li Yong-Dan
Carbon nanotubes were prepared from catalytic decomposition of methane on an aerogel catalyst. The structure of carbon n...
2003, 19 (04): 347-351.
DOI: 10.3866/PKU.WHXB20030414
4584
Abstract/Metrics
3366
PDF(1977KB)
Shear Viscosity of Simple Fluids in Porous Media: Molecular Dynamic Simulations and Correlation Models
Zhang Hui;Zhang Bing-Jian;Liang Shi-Qiang;Lu Ying-Hong;Hu Wen-Xuan
Equilibrium molecular dynamics simulations have been used to calculate the shear viscosity of fluid argon both in macrov...
2003, 19 (04): 352-355.
DOI: 10.3866/PKU.WHXB20030415
4533
Abstract/Metrics
3316
PDF(1539KB)
Molecular Structures and Potential Function for PuC and PuC2 Molecules
Li Gan;Sun Ying;Wang Xiao-Lin;Gao Tao;Zhu Zheng-He
Density function (B3LYP) method with relativistic effective core potential (RECP) have been used to optimize the structu...
2003, 19 (04): 356-360.
DOI: 10.3866/PKU.WHXB20030416
6735
Abstract/Metrics
3128
PDF(1445KB)
Note
Thermodynamics of Indium Sulfate Solution
Wang Qin-Ping;Lü Dian-Zhen;Zhang Li;Sun Xue-Li;Hong Mei;Yang Jia-Zhen
The thermodynamic properties of the system HCl-In2(SO4)3-H2O were studied by EMF measurement in cells without liquid jun...
2003, 19 (04): 361-363.
DOI: 10.3866/PKU.WHXB20030417
3749
Abstract/Metrics
2824
PDF(1147KB)
Determination of the Diffusion Coefficients of SDS Molecules in SDS/
n
-C
5
H
11
OH/H
2
O Lyotropic Liquid Crystal
Xu Jian-Xin;Liu Tian-Qing;Guo Rong
The diffusion coefficients of the SDS(Sodium dodecyl sulfate) molecules in lyotropic liquid crystal of SDS/n-C5H11OH/H2O...
2003, 19 (04): 364-367.
DOI: 10.3866/PKU.WHXB20030418
4515
Abstract/Metrics
3046
PDF(1430KB)
Effect of Structurally-Specific Carboxylates on Biomineralization of Calcium Oxalate in Gel Systems
Ouyang Jian-Ming;Tan Yan-Hua;Shen Yu-Hua
The effects of structurally-specific carboxylates on the crystallization of calcium oxalate(CaOx) were investigated in g...
2003, 19 (04): 368-371.
DOI: 10.3866/PKU.WHXB20030419
4103
Abstract/Metrics
2702
PDF(1486KB)
EIS Analysis on the Anodic Dissolution Process of Pure Aluminum in an Alkaline Solution
Shao Hai-Bo;Zhang Jian-Qing;Wang Jian-Ming;Cao Chu-Nan
The EIS of the anodic dissolution process of pure aluminum in an alkaline solution was fitted using an expression of Far...
2003, 19 (04): 372-375.
DOI: 10.3866/PKU.WHXB20030420
4308
Abstract/Metrics
3008
PDF(1575KB)
Breaking and Flocculating Purification of Thin-long Carbon Nanotubes from Carbon Fibers
Wang Yao;Wu Jun;Wei Fei;Jin Yong
An efficient method for separating thin-long carbon nanotubes (CNTs)from carbon fibers is presented. The process involve...
2003, 19 (04): 376-379.
DOI: 10.3866/PKU.WHXB20030421
4488
Abstract/Metrics
2920
PDF(1588KB)
Influence of Methanol on the Kinetics of Oxygen Reduction on Pt/C and CoPcTc/C
Li Xu-Guang;Han Fei;Xing Wei;Tang Ya-Wen;Lu Tian-Hong
The influences of methanol on the performances of Pt/C and CoPcTc(cobalt of tetracarboxyl phthalocyanine)/C heat-treated...
2003, 19 (04): 380-384.
DOI: 10.3866/PKU.WHXB20030422
4575
Abstract/Metrics
3114
PDF(1572KB)