Communication

• Role of Compound Orientation in CoMFA Studies
• Wang Ren-Xiao, Gao Ying, Liu Liang, Lai Lu-Hua
• Our work shows that different compound orientations have different results in Comparative Molecular Field Analysis(CoMFA...
• 1998, 14 (01): 1 -4 DOI: 10.3866/PKU.WHXB19980101

• 3214Abstract/Metrics
• 2573 PDF(593KB)

• Reaction Mechanism of Chlorine Nitrate with HCl on lce Surface
• Xu Si-Chuan, Zhao Xin-Sheng
• On the line of multi-molecule-formed transition state mechanism, reaction of ClONO2 with HCl on ice surface was investig...
• 1998, 14 (01): 5 -7 DOI: 10.3866/PKU.WHXB19980102

• 3896Abstract/Metrics
• 2631 PDF(420KB)

ARTICLE

• Calculation of the Electronegativity of Solid Metal Atom and its Application(I)
• Wang Gui-Chang, Sun Yu-Han, Zhong Bing
•  An empirical method is presented for calculating electronegativity of solid metal atom(Z),that is X=Pexp(-KsR) ...
• 1998, 14 (01): 8 -12 DOI: 10.3866/PKU.WHXB19980103

• 4058Abstract/Metrics
• 2824 PDF(834KB)

• The Preparation of Quantum-dot CdS Doped Silica Glass by the Improved Sol-gel Process
• Huang Jian-Bin, Dai Qing-Hong, Gui Lin-Lin
• The sol-gel process has been applied successfully to the preparation of small-sized CdS-doped silica glasses. Silica gla...
• 1998, 14 (01): 13 -20 DOI: 10.3866/PKU.WHXB19980104

• 3284Abstract/Metrics
• 2971 PDF(1364KB)

• A Study of 1,4-dioxane Photoionization and Dissociation
• Zou Peng, Wu Guo-Sheng, Chen Wen-Wu, Yang Da-Lin, Sheng Liu-Si, Wu Guo-Hua, Ye Wei-Quan, Zhang Yun-Wu
• The photoionization-dissociation pattern of 1,4-dioxane has been studied by molecular beam. VUV from Synchrotron Radiati...
• 1998, 14 (01): 21 -26 DOI: 10.3866/PKU.WHXB19980105

• 4228Abstract/Metrics
• 2491 PDF(781KB)

• Influences of In³⁺ and Ga³⁺ on the Electrochemical Behaviour of Al in KOH Solution
• Xu Gang, Cao Chu-Nan, Lin Hai-Chao, Zhang Jian-Qing
•  Electrochemical Behaviors of Al in 1 mol•L-1 KOH solution without and with the addition of In3+or Ga3+ were i...
• 1998, 14 (01): 27 -32 DOI: 10.3866/PKU.WHXB19980106

• 3429Abstract/Metrics
• 2449 PDF(1418KB)

• Theoreticl Studies on the Pyrolysis of Polynitric Esters
• Gong Xue-Dong, Xiao He-Ming
• The pyrolysis reactions of four polynitric esters at twelve conformations have been calculated using SCF-MO-AM1 method a...
• 1998, 14 (01): 33 -38 DOI: 10.3866/PKU.WHXB19980107

• 3074Abstract/Metrics
• 2545 PDF(838KB)

• Cluster growth under the Field of Nonhomogeneous Probability-Density
• Wang Ze-Xin, Zhang Wen-Xia, Diao Zhao-Yu
• The morphologic characteristics of the clusters growth were studied by means of the model of self-adjusted growth of clu...
• 1998, 14 (01): 39 -44 DOI: 10.3866/PKU.WHXB19980108

• 2807Abstract/Metrics
• 2234 PDF(1023KB)

• Simulated Calculation of High-Silica Zeolites Structure and Stability(I)
• Li Bao-Zong, Xu Wen-Guo, Qiu Shi-Lun, Pang Wen-Qin, Xu Ru-Ren
•  The lattice energy of a series of high-silica zeolites was determined using the lattice energy minimization method...
• 1998, 14 (01): 45 -50 DOI: 10.3866/PKU.WHXB19980109

• 3218Abstract/Metrics
• 2316 PDF(884KB)

• Study on High Activity Platinum Electrode on a New Type Photoelectrochemical Cell
• Zhang Ya-Li, Liu Zai-Wei, Guo Guo-Lin, Gui Lin-Lin
• By using cyclic voltage method, nano-structured platinum was electrochemically deposited on the surface of conducting gl...
• 1998, 14 (01): 51 -56 DOI: 10.3866/PKU.WHXB19980110

• 4053Abstract/Metrics
• 2377 PDF(1313KB)

• X-ray Photoelectron Spectroscopy Study of the Deposition of TiO₂ Thin Films on Self-assembly Monolayer
• Xiao Zhong-Dang, Huang Dan, Gu Jian-Hua, Lu Zu-Hong
•  X-ray photoelectron spectroscopy (XPS) was used to study the chemistry and film morphology during titanium oxide d...
• 1998, 14 (01): 57 -62 DOI: 10.3866/PKU.WHXB19980111

• 4021Abstract/Metrics
• 2404 PDF(823KB)

• Resonance-Assisted Intramolecular Hydrogen Bonding in Substituted Phenols
• Zhang De-Chun, Zhang Yan-Qiu, Lu Cheng-Rong
•  Based on the crystal structural data, intramolecular hydrogen bonding (intra-HB) geometries and atomic partial cha...
• 1998, 14 (01): 63 -67 DOI: 10.3866/PKU.WHXB19980112

• 3860Abstract/Metrics
• 3273 PDF(701KB)

• CO Chemisorption on Disordered Binary Alloy
• Zhang Ying, Xu Hai-Bo
•  The one-dimensional tight-binding model and the one-electron chemisorption energy are used to study the absorption...
• 1998, 14 (01): 68 -72 DOI: 10.3866/PKU.WHXB19980113

• 3305Abstract/Metrics
• 2437 PDF(493KB)

• EPR Spectral Studies of Cu(II) Complexes with Methionine Schiff Bases
• Zhang Ping, Hu Xiao-Li, Chen De-Yu
• Two kinds of new copper(Ⅱ) complexes with methionine Schiff bases have been synthesized respectively. EPR spectra of the...
• 1998, 14 (01): 73 -77 DOI: 10.3866/PKU.WHXB19980114

• 3207Abstract/Metrics
• 2467 PDF(640KB)

• Hel Photoelectron Spectroscopical and Theoretical Studies of the Electronic Structure and Molecular Obital Character in some Alkyl Thioether Compounds
• Sun Zheng, Zheng Shi-Jun, Meng Ling-Peng, Qiao Chun-Hua, Wang Dian-Xun
•  The HeI photoelectron spectra of dimethyl thioether, di-p-chlorphenyl thioether and di-p-tolyl thioether have been...
• 1998, 14 (01): 78 -83 DOI: 10.3866/PKU.WHXB19980115

• 3326Abstract/Metrics
• 2546 PDF(912KB)

Note

• XPS Study of LB Films of Amphiphilic Ligand on Surface of the Subphase Containing Metal Ions
• Ouyang Jian-Ming, Tai Zi-Hou, Tang Wen-Xia
•  The complex formation of 2-hexadecylcarbamoyl-8-hydroxyquinoline(HHQ) monolayers at the air/water interface by rea...
• 1998, 14 (01): 84 -87 DOI: 10.3866/PKU.WHXB19980116

• 3941Abstract/Metrics
• 2575 PDF(650KB)

• Interfacial Rheology Investigation of Polyacrylamide-Surfactant Interactions
• Wang Xin-Ping, Zhang Jia-Yun, Tang Ji-An, Jiang Long
• Oil-water interfacial viscosity for aqueous mixture of cetyltrimethylammonium bromide(CTAB ) and partially hydrolyzed po...
• 1998, 14 (01): 88 -92 DOI: 10.3866/PKU.WHXB19980117

• 3622Abstract/Metrics
• 2868 PDF(729KB)

• DNP Study on Doping Organic Samples with Stable Free Radicals
• Yang Bao-Lian, Feng Ji-Wen, Hu Jian-Zhi, Zhou Jian-Cheng, Li Li-Yun, Qiu Jian-Qing, Ye Chao-Hui
• The DNP-enhanced NMR experiment was performed on the DBF samples doped with free radicals. The experimental results show...
• 1998, 14 (01): 93 -96 DOI: 10.3866/PKU.WHXB19980118

• 3477Abstract/Metrics
• 2364 PDF(669KB)