ARTICLE

• Global Geometry Optimization of Water Clusters Using Fast Hybrid Global Optimization Algorithm
• Cao Yi-Lin;Wang Yan-Song
• By combining the genetic algorithm, fast simulated annealing and conjugated gradient algorithm, a novel global optimizat...
• 2004, 20 (08): 785-789. DOI: 10.3866/PKU.WHXB20040801

• 5868Abstract/Metrics
• 4048 PDF(1505KB)

• Study on Al₂O₃-modified LiMn2O4 Prepared by Heterogeneous Nucleation
• Wang Zhi-Xing;Xing Zhi-Jun;Li Xin-Hai;Guo Hua-Jun;Peng Wen-Jie
• The spinel LiMn2O4 synthesized by the method of solid-state reaction was modified with aluminum oxide through the hetero...
• 2004, 20 (08): 790-794. DOI: 10.3866/PKU.WHXB20040802

• 6402Abstract/Metrics
• 3532 PDF(1987KB)

• The Codeposition Mechanism and Function of Oil-containing Microcapsule Composite Copper Coating
• Zhu Li-Qun;Zhang Wei
• Function of the composite copper coating containing lubricating oil microcapsules was discussed with codeposition mechan...
• 2004, 20 (08): 795-800. DOI: 10.3866/PKU.WHXB20040803

• 5511Abstract/Metrics
• 3370 PDF(2002KB)

• Kinetics and Mechanism of Iridium (III) Catalyzed Oxidation of Isobutyl Alcohol by Cerium(IV) in Aqueous Sulphuric Acid Medium
• Song Wen-Yu;Li Hong-Bian;Liu Hong-Mei
• The kinetics of iridium(III) catalyzed oxidation of isobutyl alcohol by cerium(III) in aqueous sulphuric acid medium has...
• 2004, 20 (08): 801-805. DOI: 10.3866/PKU.WHXB20040804

• 5959Abstract/Metrics
• 3507 PDF(1536KB)

• Theoretical Study on Molecular Nonlinear Optical Properties of Hemicyanine Derivatives
• Li Hai-Peng;Han Kui;Wang Qun
• This paper presents the results of calculations on the first hyperpolarizability and molecular frontier orbital properti...
• 2004, 20 (08): 806-810. DOI: 10.3866/PKU.WHXB20040805

• 5713Abstract/Metrics
• 2824 PDF(1665KB)

• Dissipative Particle Dynamics Simulation on the Block Polymer in Aqueous Solution
• Yuan Shi-Ling;Wu Rui;Cai Zheng-Ting
• The mesoscopic phase separation of block polymers, Pluronic 64(PL64)and Pluronic 25R4 (25R4), was investigated by dissip...
• 2004, 20 (08): 811-815. DOI: 10.3866/PKU.WHXB20040806

• 5596Abstract/Metrics
• 3913 PDF(1529KB)

• Surface Activity and Micellization of LSmn in Aqueous Solution
• Wang Zheng-Wu;Li Ying;Li Gan-Zuo;Gu Ming-Yan
• In order to investigate the surfactivity of the linear dodecyl polyoxyethylene polyoxypropylene ether series (LSmn), the...
• 2004, 20 (08): 816-820. DOI: 10.3866/PKU.WHXB20040807

• 6119Abstract/Metrics
• 3355 PDF(1599KB)

• A New Descriptor of Amino Acids and Its Application in Peptide QSAR
• Mei Hu;Zhou Yuan;Sun Li-Li;Li Zhi-Liang
• Quantitative structure-activity relationships (QSARs) are essential to optimize the structure to give desired biological...
• 2004, 20 (08): 821-825. DOI: 10.3866/PKU.WHXB20040808

• 5573Abstract/Metrics
• 3102 PDF(1405KB)

• DFT Studies on Reaction Mechanism of the Double Bond Isomerization of Butene Catalyzed by 1-ethyl-3-methyl-lmidazolium of the Ionic Liquid
• Pu Min;Liu Kun-Hui;Li Hui-Ying;Chen Biao-Hua
• The geometries of reactant, product and transition state for the title reaction have been optimized using density functi...
• 2004, 20 (08): 826-830. DOI: 10.3866/PKU.WHXB20040809

• 6732Abstract/Metrics
• 3348 PDF(1465KB)

• Thermodynamics of Mixed Electrolytes in Mixed Solvents of Fructose and Water
• Wang Qin-Ping;Zhang Chun-Li;Zhou Li-Hua;Chen Hong-Tao;Chen Shu-Sen;Lü Dian-Zhen
• Sugars are not only biologically important compounds but also typical nonelectrolyte with hydrophilic hydroxyl group, wh...
• 2004, 20 (08): 831-836. DOI: 10.3866/PKU.WHXB20040810

• 5071Abstract/Metrics
• 3155 PDF(1498KB)

• A Study on Interactions between α-cyclodextrin and a Series of New Kind of Surfactants in Aqueous Solutions by Microcalorimetry
• Wang Shi-Bing;Song Ming-Zhi;Wei Xi-Lian;Yin Bao-Lin;Sun De-Zhi
• The interactions between α-cyclodextrin (α-CD) and 3-alkoxyl-2-hydroxypropyl trimethyl ammonium bromides (CnNBr), new su...
• 2004, 20 (08): 837-842. DOI: 10.3866/PKU.WHXB20040811

• 5230Abstract/Metrics
• 2983 PDF(1974KB)

• Synthesis and Gas Sensitive Properties of Mixed-Ligand Complex Ni(mnt)(bipyO₂) with Big Conjugate System
• Fu Tie-Xiang;Tao Jun;Li Dan
• A mixed-ligand complex Ni(mnt)(bipyO2) with large conjugate system was synthesized by reaction of bipyO2(2,2′-bipyridine...
• 2004, 20 (08): 843-848. DOI: 10.3866/PKU.WHXB20040812

• 7323Abstract/Metrics
• 3413 PDF(1966KB)

• Photoelectrochemical Studies of the TiO₂ Nanocrystalline Electrode Sensitized by Novel Cyanine Dye
• Guo Jia-Hao;He Xiao-Ying;Guo Min;Cai Sheng-Min;Chen Xiu-Ying;Peng Xiao-Jun
• The photoelectrochemical behaviors of the TiO2 nanocrystalline electrode sensitized by Cy5 (N-carboxylbenzyl-3,3-dimethy...
• 2004, 20 (08): 849-853. DOI: 10.3866/PKU.WHXB20040813

• 5525Abstract/Metrics
• 3409 PDF(1940KB)

• Physicochemical and Catalytic Properties of ZSM-5/Y Composite Zeolites Dealuminated by the Steaming
• Chen Hong-Lin;Shen Bao-Jian;Pan Hui-Fang
• ZSM-5/Y composite zeolite, a new composite material synthesized in situ from NaY gel, was dealuminated by hydrothermal t...
• 2004, 20 (08): 854-859. DOI: 10.3866/PKU.WHXB20040814

• 6228Abstract/Metrics
• 4203 PDF(1692KB)

• A CCSD-LRT Study of the Electronic States of InI
• Dai Jun;Lin Mei-Rong;Yang Xin-Zheng;Zhang Bao-Zheng
• The electronic states of InI molecule are computed using the coupled-cluster single- and double-linear response theory (...
• 2004, 20 (08): 860-863. DOI: 10.3866/PKU.WHXB20040815

• 5263Abstract/Metrics
• 3241 PDF(1272KB)

• A Study on the Interaction between Ofloxacin and Bovine Lactoferrin by Fluorescence Spectrophotometry
• Shang Zhi-Cai;Fan Cheng-Ping;Guo Ming;Yu Qing-Sen
• The binding reaction between ofloxacin and bovine lactoferrin(BLf) was studied by fluorescence spectra in dilute aqueous...
• 2004, 20 (08): 864-867. DOI: 10.3866/PKU.WHXB20040816

• 5225Abstract/Metrics
• 3242 PDF(1598KB)

Note

• The Interface Properties of Potassium Titanate Whiskers
• Chen Wei-Ping;Feng Xin;Wang Chang-Song;Sun Sheng-Hua;Lu Xiao-Hua
• This paper investigated a method of modifying potassium titanate whiskers (K2O•6TiO2) to obtain polymethyl methacr...
• 2004, 20 (08): 868-870. DOI: 10.3866/PKU.WHXB20040817

• 5710Abstract/Metrics
• 3358 PDF(1438KB)

• Electrochemical Oxidation for the Degradation of Organic Pollutants on a Novel PbO₂ Anode
• Zhou Ming-Hua;Dai Qi-Zhou;Lei Le-Cheng;Wu Zu-Cheng;Ma Chun-An;Wang Da-Hui
• A novel lead dioxide anode modified by fluorine and characterized by X-ray diffraction (XRD) and SEM, was applied to the...
• 2004, 20 (08): 871-876. DOI: 10.3866/PKU.WHXB20040818

• 6992Abstract/Metrics
• 3575 PDF(2248KB)

• Quantum Chemical Calculation of the Excited State Potential Energy Surface of H₂O^＋ Using the CASSCF Method
• Wang Jun;Guo Ying-Chun;Yang Xiao-Hua;Wu Sheng-Hai;Liu Yu-Yan;Chen Yang-Qin
• The excited potential surface of H2O＋ is calculated using CASSCF method with Gaussian98 program, and then fitted to an a...
• 2004, 20 (08): 877-881. DOI: 10.3866/PKU.WHXB20040819

• 5904Abstract/Metrics
• 3603 PDF(1444KB)

• Interphase Analysis of Adhesion Bonded Aluminum Sheet/polypropylene and Maleic Anhydride Grafted Polypropylene by XPS
• Chen Ming-An;Zhang Xin-Ming;Xie Xuan
• Interphases at the adhesion bonded interfaces between aluminum sheet and polypropylene(PP)/and PP blended with maleic an...
• 2004, 20 (08): 882-886. DOI: 10.3866/PKU.WHXB20040820

• 6120Abstract/Metrics
• 3423 PDF(1624KB)

• Study on the Interaction Strength of La^3＋ or Eu^3＋ with Microperoxidase-8
• Chen Ting-Ting;Huang Xiao-Hua;Du Jiang-Yan;Feng Yu-Ying;Liu Chang-Peng;Xing Wei;Lu Tian-Hong
• The interaction of La3＋ or Eu3＋ with MP-8 was studied and the interaction strength of La3＋ or Eu3＋ with MP-8 was compare...
• 2004, 20 (08): 887-891. DOI: 10.3866/PKU.WHXB20040821

• 5534Abstract/Metrics
• 3114 PDF(1491KB)

• The Electronic States of Ordered Thin Film of Perylene on Ag (110)
• Huang Han;Yan Xin-Cheng;Mao Hong-Ying;Chen Qiao;Qian Hui-Qin;Zhang Jian-Hua;Li Hai-Yang;He Pi-Mo;Bao Shi-Ning
• The growth of perylene on Ag (110) has been studied by the ultraviolet photoemission spectroscopy (UPS) measurements and...
• 2004, 20 (08): 892-896. DOI: 10.3866/PKU.WHXB20040822

• 6130Abstract/Metrics
• 3314 PDF(1764KB)