ARTICLE

• Modification of Nanoporous Silica Film by Trimethylchlorosilane
• Wang Juan; Zhang Chang-Rui; Feng Jian
• Crack-free homogeneous nanoporous silica films on silicon wafers have been synthesized via supercritical drying of wet g...
• 2004, 20 (12): 1399-1403 DOI: 10.3866/PKU.WHXB20041201

• 4124Abstract/Metrics
• 3586 PDF(1812KB)

• Quantum Chemical Investigation of Solvent Effects on Hydroformylation Reaction
• LUO Xiao-Ling;TANG Dian-Yong;LI Ming
• A theoretical investigation of solvent effects on hydroformylation has been carried out at the B3LYP/6-31G (d, p) level ...
• 2004, 20 (12): 1404-1410 DOI: 10.3866/PKU.WHXB20041202

• 4113Abstract/Metrics
• 2883 PDF(1512KB)

• Electrodeposition, Structure and Properties of an Amorphous Ni-W-B/ZrO₂ Composite Coating
• Yang Fang-Zu;Ma Zhao-Hai;Huang Ling;Xu Shu-Kai;Zhou Shao-Min
• Ni-W-B/ZrO2 composite coating was electrodeposited from the Ni-W-B electrolyte solution containing zirconia particles. T...
• 2004, 20 (12): 1411-1416 DOI: 10.3866/PKU.WHXB20041203

• 3948Abstract/Metrics
• 3359 PDF(2121KB)

• Quantum Chemistry Study on Cycloaddition Reaction of Germylene X₂Ge (X=H, CH₃, F, Cl, Br) and Ethylene
• Geng Zhi-Yuan;Wang Yong-Cheng;Wang Han-Qing
• The potential energy surfaces for the cycloaddition reactions of singlet germylene X2Ge(X=H, CH3, F, Cl, Br) and ethylen...
• 2004, 20 (12): 1417-1422 DOI: 10.3866/PKU.WHXB20041204

• 4072Abstract/Metrics
• 2972 PDF(1554KB)

• Comparison between C54 and C49 Phase of TiSi₂ by ab initio Calculaltions
• Wang Tao;Dai Yong-Bing;Ouyang Si-Ke;Shen He-Sheng;Wang Qing-Kang;Wu Jian-Sheng
• The ab initio plane-wave ultrasoft pseudopotential method based on generalized gradient approximation (GGA) has been uti...
• 2004, 20 (12): 1423-1427 DOI: 10.3866/PKU.WHXB20041205

• 4367Abstract/Metrics
• 3266 PDF(1600KB)

• Electronic Absorption Spectra of Linear Cluster SC_2nS_2－(n=1～12)
• Zhang Jing-Lai;Wang Lian-Bin;Wu Wen-Peng; Cao Ze-Xing
• Using density functional theory(DFT),the geometries and the vibrational frequencies of linear cluster SC2nS2－(n=1～12) ha...
• 2004, 20 (12): 1428-1433 DOI: 10.3866/PKU.WHXB20041206

• 3778Abstract/Metrics
• 2703 PDF(1589KB)

• Synergistic Effect of Eu^3＋ and Si^4＋ Co-doping on Photocatalytic Activity of Titanium Dioxide
• Li Yue-Xiang; Wang Tian-Hui; Peng Shao-Qin1　Lü Gong-Xuan; Li Shu-Ben
• Eu/Ti/Si composite photocatalysts were prepared by sol-gel-soaking process and characterized by XRD, FT-IR and EPR. It h...
• 2004, 20 (12): 1434-1439 DOI: 10.3866/PKU.WHXB20041207

• 4429Abstract/Metrics
• 3217 PDF(2028KB)

• Electrochemical Performance of a Novel Cathode Material Phenyl Polysulfide for Lithium Batteries
• Wang Wei-Kun; Wang An-Bang; Cao Gao-Ping; Yang Yu-Sheng
• A novel orgnaosulfur cathode material named phenyl polysulfide(PPS) for lithium batteries was studied. The highly crossl...
• 2004, 20 (12): 1440-1444 DOI: 10.3866/PKU.WHXB20041208

• 3824Abstract/Metrics
• 3401 PDF(2201KB)

• Adsorption and Vibration of O on Pt(s)-[n(111)×(100)] Surfaces
• Diao Zhao-Yu; Dong Chen-Chu; Wang Ze-Xin; Han Ling-Li; Hao Ce
• Oxygen adsorbed on Pt stepped surfaces has been studied by means of the 5-parameter morse potential(5-MP) of interaction...
• 2004, 20 (12): 1445-1450 DOI: 10.3866/PKU.WHXB20041209

• 3264Abstract/Metrics
• 2743 PDF(1635KB)

Note

• Surface Properties of Sodium Branched-alkylbenzenesulfonates
• Wang Lin; Zhang Lu; Chu Yan-Ping; Zhao Sui; Yu Jia-Yong
• The relationship of surface property and hydrophobic branched-chain structure was studied using four branched-alkylbenze...
• 2004, 20 (12): 1451-1454 DOI: 10.3866/PKU.WHXB20041210

• 4064Abstract/Metrics
• 3299 PDF(1344KB)

• Density Functional Theory Calculations on 2-thioxanthine Tautomers
• Li Bao-Zong
• Molecular structures of fourteen 2-thioxanthine tautomers were calculated by the B3LYP /6-311G** method, both in the gas...
• 2004, 20 (12): 1455-1458 DOI: 10.3866/PKU.WHXB20041211

• 3920Abstract/Metrics
• 3156 PDF(1248KB)

• Catalytic Combustion of Soot over Cu-Mg/Al Composite Oxides
• Yu Jun-Jie; Jiang Zheng; Kang Shou-Fang; Hao Zheng-Ping
• Keeping the atomic ratio of nM2+/nM3+ at 3, series of CuMgAl-O oxides (wCuO=0％, 5％, 10％, 15％, 20％, 30％, 40％,denoted as (...
• 2004, 20 (12): 1459-1464 DOI: 10.3866/PKU.WHXB20041212

• 3570Abstract/Metrics
• 3629 PDF(1992KB)

• TGA-FTIR Study of 1-n-butyl-3-methylimidazolium Bromide Ionic Liquid
• Li Xue-Hui; Zhang Lei; Li Qiong; Geng Wei-Guo; Ye Yu-Jia; Wang Le-Fu
• Under the atmosphere of air and nitrogen, the thermal properties of 1-n-butyl-3-methylimidazolium bromide ionic liquid w...
• 2004, 20 (12): 1465-1468 DOI: 10.3866/PKU.WHXB20041213

• 4711Abstract/Metrics
• 3245 PDF(1422KB)

• The Standard Molar Enthalpy of Formation of Room Temperature Ionic Liquid EMIES
• Zhang Zhi-Heng; Guan Wei; Yang Jia-Zhen; Tan Zhi-Cheng; Sun Li-Xian
• Using RBC-Ⅱ type oxygen-bomb combustion calorimeter, the molar combustion enthalpies of room temperature ionic liquid, 1...
• 2004, 20 (12): 1469-1471 DOI: 10.3866/PKU.WHXB20041214

• 4608Abstract/Metrics
• 3259 PDF(1337KB)

• Electrochemical Dissolution of Tin in Ethylene Glycol Monomethyl Ether and Direct Hydrolysis of the Electrolyte for Preparation of Nano-sized SnO2
• Zhou Xing-Fu; Zhao Jun-Feng; He Hui; Chu Dao-Bao
• Metallic tin was directly dissolved in ethylene glycol monomethyl ether and Sn(OCH2CH2OCH3)4 was obtained. The products ...
• 2004, 20 (12): 1472-1475 DOI: 10.3866/PKU.WHXB20041215

• 3757Abstract/Metrics
• 3030 PDF(1859KB)

• A Theoretical Investigation of Conformation and Electronic Structure of Poly(m-phenylene) and Its Derivatives
• Yang Bing; Zhang Hai-Quan; Xu Hai; Zheng Yan; Yu Jing-Sheng; Ma Yu-Guang; Shen Jia-Cong
• Potential energy of poly(m-phenylene)(PMP, P1) and the related derivatives (P2,P3) as a function of torsion angles(f) we...
• 2004, 20 (12): 1476-1480 DOI: 10.3866/PKU.WHXB20041216

• 3526Abstract/Metrics
• 3207 PDF(1479KB)

Index

• Classified Subject Index for Vol.20
• 2004, 20 (12): 1481-1501

• 1921Abstract/Metrics
• 2833 PDF(1472KB)

• Author Index for Vol.20
• 2004, 20 (12): 1502-1510

• 1789Abstract/Metrics
• 2108 PDF(265KB)