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

• 6382Abstract/Metrics
• 3147 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

• 5633Abstract/Metrics
• 3216 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

• 4909Abstract/Metrics
• 3720 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

• 5251Abstract/Metrics
• 2802 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

• 6187Abstract/Metrics
• 3716 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

• 5198Abstract/Metrics
• 3283 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

• 4748Abstract/Metrics
• 3444 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

• 5049Abstract/Metrics
• 3384 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

• 5759Abstract/Metrics
• 3160 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

• 6793Abstract/Metrics
• 3430 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

• 5226Abstract/Metrics
• 2917 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

• 5437Abstract/Metrics
• 3439 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

• 5921Abstract/Metrics
• 3259 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

• 6151Abstract/Metrics
• 3546 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

• 5638Abstract/Metrics
• 3443 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

• 8182Abstract/Metrics
• 3316 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

• 5438Abstract/Metrics
• 2931 PDF(1147KB)

• Determination of the Diffusion Coefficients of SDS Molecules in SDS/n-C₅H₁₁OH/H₂O 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

• 5765Abstract/Metrics
• 3165 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

• 5425Abstract/Metrics
• 2788 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

• 5296Abstract/Metrics
• 3113 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

• 5793Abstract/Metrics
• 2980 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

• 6034Abstract/Metrics
• 3252 PDF(1572KB)