Table of Contents

• Table of Contents for Vol.24 No.4
• 2008, 24 (04): 0-0

• 1794Abstract/Metrics
• 2716 PDF(1721KB)

ARTICLE

• Target-Ligand Space Distribution of the Compound Sets from Xuefu Zhuyu Decoction, a Traditional ChineseMedicinal Recipe
• LI Xu-Dong; HUANG Qin; XU Xiao-Jie
• Target-ligand space distributions of the molecules in Xuefu Zhuyu decoction (XFZYD), a traditional Chinese medicinal rec...
• 2008, 24 (04): 547-551 DOI: 10.3866/PKU.WHXB20080401

• 2644Abstract/Metrics
• 2323 PDF(803KB)

• Electronic Structure Characteristics of ESIPT and TICT Fluorescence Emissions and Calculations of Emitting Energies
• WANG Yi-Lei; WU Guo-Shi
• A scheme of time-dependent density functional theory (TDDFT) combined with the single-excitation configuration interacti...
• 2008, 24 (04): 552-560 DOI: 10.1016/S1872-1508(08)60021-2

• 4578Abstract/Metrics
• 2982 PDF(645KB)

• Nanostructured CoMoO₄ Supported on Mesoporous SBA-15 for Catalytic Oxidative Dehydrogenation of Propane to Propene
• PEI Su-Peng; ZHANG Bin; JIAO Kun; BAO Ren-Lie; YUE Bin; HE He-Yong
• Nanostructured cobalt molybdate catalysts supported on mesoporous silica SBA-15 with different loadings were prepared by...
• 2008, 24 (04): 561-564 DOI: 10.1016/S1872-1508(08)60022-4

• 4125Abstract/Metrics
• 2623 PDF(1124KB)

• Multiphoton Absorption in Expanded Porphyrins
• HE Yuan-Hang; HUI Ren-Jie; YI Yuan-Ping; SHUAI Zhi-Gang
• We have calculated the multiphoton absorption cross-sections for three expanded porphyrin derivatives using the sum-over...
• 2008, 24 (04): 565-570 DOI: 10.1016/S1872-1508(08)60023-6

• 2753Abstract/Metrics
• 2247 PDF(415KB)

• Fabrication and Luminescent Properties of 6H-SiC/3C-SiC/6H-SiC Quantum Well Structure
• LIU Jin-Feng; LIU Zhong-Liang; REN Peng; XU Peng-Shou; CHEN Xiu-Fang; XU Xian-Gang
• Quantumwell structure filmof 6H-SiC/3C-SiC/6H-SiC was fabricated on 6H-SiC(0001) with the substrate temperature of 1350 ...
• 2008, 24 (04): 571-575 DOI: 10.1016/S1872-1508(08)60024-8

• 3022Abstract/Metrics
• 2417 PDF(581KB)

• Crystal Structure and Thermal Decomposition of 5-Aminotetrazole Trinitrophloroglucinolate
• HU Xiao-Chun; ZHANG Tong-Lai; QIAO Xiao-Jing; YANG Li; ZHANG Jian-Guo; CUI Yan; ZHANG Jin
• 5-Aminotetrazole trinitrophloroglucinolate ((ATZ) TNPG) was prepared and characterized by elemental analysis and FT-IR s...
• 2008, 24 (04): 576-580 DOI: 10.1016/S1872-1508(08)60025-X

• 3571Abstract/Metrics
• 2498 PDF(703KB)

• Au/γ-Al₂O₃ Catalyst Prepared from Octanethiolate Monolayer Protected Au Nanoparticles for CO Oxidation
• WEN Li; LIN Zhong-Yu; ZHOU Jian-Zhang; GU Ping-Ying; FU Jin-Kun; LIN Zhong-Hua
• Octanethiolate self-assembled monolayer-protected gold nanoparticles (C8AuNPs) were synthesized using a two-phase protoc...
• 2008, 24 (04): 581-586 DOI: 10.3866/PKU.WHXB20080407

• 3411Abstract/Metrics
• 2460 PDF(1012KB)

• Reaction Mechanism and Kinetics for the Reaction of ·OH+CH₃CN
• TIAN Yan; HE Tian-Jing; CHEN Dong-Ming; LIU Fan-Chen
• The complex potential energy surface for the reaction of·OH radical with CH3CN, including 2 intermediate complexes, 9 tr...
• 2008, 24 (04): 587-594 DOI: 10.3866/PKU.WHXB20080408

• 3148Abstract/Metrics
• 2109 PDF(298KB)

• Influence of Gas Molecule on Stability of Methane Hydrate
• GENG Chun-Yu; DING Li-Ying; HAN Qing-Zhen; WEN Hao
• In an attempt to probe the influence of gasmolecule on stability of methane hydrate, geometry optimizations (by B3LYP/6-...
• 2008, 24 (04): 595-600 DOI: 10.3866/PKU.WHXB20080409

• 4191Abstract/Metrics
• 2863 PDF(760KB)

• Super-Molecular Interaction between Cl^- and H₂O within the Restricted Space of Layered Double Hydroxides
• XU Qian; NI Zhe-Ming; PAN Guo-Xiang; CHEN Li-Tao; LIU Ting
• A periodical interaction model of LDHs-Cl-yH2O has been proposed. The geometry optimization and energy of the layered do...
• 2008, 24 (04): 601-606 DOI: 10.1016/S1872-1508(08)60026-1

• 3821Abstract/Metrics
• 2588 PDF(1117KB)

• Preparation and Characterization of Room-temperature Ferromagnetic Ni-doped TiO₂ Nanobelts
• ZHANG Hong-Ye; JI Tian-Hao; LI Ling-Long; QI Xing-Yi; LIU Yi-Fan; CAI Jian-Wang; DU Hai-Yan; SUN Jia-Yue
• Ni-doped anatase TiO2 nanobelts (NBs) with different Ni2+ contents were simply prepared by combining ion-exchange with h...
• 2008, 24 (04): 607-611 DOI: 10.1016/S1872-1508(08)60027-3

• 3540Abstract/Metrics
• 2892 PDF(1245KB)

• Effects of Different Electrolyte Solutions on Characteristics of Polypyrrole-Modified Films
• TIAN Ying; LI Zhe-Qi; XU Hong-Feng; WU Yan-Bo; YANG Feng-Lin
• Polypyrrole (PPy) films were synthesized by potentiolstatic method froma para-toluenesulfonic sodium (p-TSNa) solution o...
• 2008, 24 (04): 612-618 DOI: 10.3866/PKU.WHXB20080412

• 3259Abstract/Metrics
• 2334 PDF(279KB)

• Investigation of the Lipophilicity of 2-Benzoylpyridine-Thiosemicarbazone Based on the Ion Transfer across the Liquid/Liquid Interface
• AKGEMCI Emine G.; BINGOL Haluk; OZCELIK Mehmet; ERSOZ Mustafa
• The ion transfer reaction of 2-benzoylpyridine-thiosemicarbazone (HL), which has antimicrobial and antifungal properties...
• 2008, 24 (04): 619-624 DOI: 10.1016/S1872-1508(08)60028-5

• 2997Abstract/Metrics
• 2195 PDF(294KB)

• Effects of Triton X-100 on Properties of Hemoglobin and Controlled Release of Drug in Hemoglobin/Ribavirin/H₂O System
• LIU Tian-Qing
• Effects of TritonX-100 on the properties of hemoglobin (Hb) and on the controlled release of ribavirin were studied usin...
• 2008, 24 (04): 625-632 DOI: 10.1016/S1872-1508(08)60029-7

• 3230Abstract/Metrics
• 2109 PDF(602KB)

• Kinetic Behavior of Visible Light Photocatalytic Oxidation of Propylene for N-Doped Nano-TiO₂
• FENG Cai-Xia; WANG Yan; JIN Zhen-Sheng; ZHANG Shun-Li
• N-doped TiO2 (anatase) with high visible light photocatalytic activity was prepared by treating nanotube titanic acid (N...
• 2008, 24 (04): 633-638 DOI: 10.3866/PKU.WHXB20080415

• 3775Abstract/Metrics
• 2711 PDF(1013KB)

• Structures and Properties of s-Triazine Derivations Substituted by Substitutent Groups Containing Nitrogen
• LIANG Xiao-Qin; PU Xue-Mei; TIAN An-Min
• B3LYP/aug-cc-pvDZ level of theory was applied to study the geometries, bond dissociation energies, and energetic materia...
• 2008, 24 (04): 639-645 DOI: 10.3866/PKU.WHXB20080416

• 3042Abstract/Metrics
• 2290 PDF(262KB)

• Preparation of P(AM-co-MAA)-W-Ag Composite Microspheres with Core-Shell Structures
• WU Hua-Tao; ZHANG Ying; NING Xiang-Li; LIANG Hong-Lian; FANG Yu
• A method of preparing poly(acrylamide-co-methacrylic acid)-tungsten-silver (P(AM-co-MAA)-W-Ag) composite microspheres wi...
• 2008, 24 (04): 646-652 DOI: 10.3866/PKU.WHXB20080417

• 3229Abstract/Metrics
• 2572 PDF(2214KB)

• Theoretical Calculation on the C₆H₅—H…X Hydrogen-bonded Complexes
• WU Yang; FENG Lu; ZHANG Xiang-Dong
• The optimized structures and binding energies of a series of C6H5—H…X hydrogen-bonded complexes involving H2O, HCOH, NH3...
• 2008, 24 (04): 653-658 DOI: 10.3866/PKU.WHXB20080418

• 3483Abstract/Metrics
• 2823 PDF(452KB)

• Ethene Adsorption on Mordenite and Modified Mordenite
• LI Fei-Fei; GUI Xing-Hua; LIU Dao-Sheng; SONG Li-Juan; SUN Zhao-Lin
• The frequency response (FR) technique were applied to study adsorption mechanism of ethene on parent mordenite and the m...
• 2008, 24 (04): 659-664 DOI: 10.3866/PKU.WHXB20080419

• 3363Abstract/Metrics
• 2104 PDF(257KB)

• Electrochemical Behavior of Aluminium Electrode in LiNO₃-KNO₃ Molten Salt
• TU Xiao-Hua; CHU You-Qun; MA Chun-An; MO Yi-Ping; CHEN Zhao-Yang
• The electrochemical behavior of aluminium in LiNO3-KNO3 molten salt electrolyte was studied by means of cyclic voltammet...
• 2008, 24 (04): 665-669 DOI: 10.3866/PKU.WHXB20080420

• 3275Abstract/Metrics
• 2256 PDF(471KB)

• Structural and Spectroscopic Properties of NaP₄ and Its Anions and Cations
• LI Zhi-Wei; LI Xiang-Zhi; XU Xian-Fang; ZHAO Cun-Yuan; CHEN Liu-Ping
• The equilibrium geometries, vibrational frequencies, atomization energies, adiabatic electron separations, adiabatic det...
• 2008, 24 (04): 670-674 DOI: 10.3866/PKU.WHXB20080421

• 4202Abstract/Metrics
• 2227 PDF(316KB)

• Semicoke Contraction Kinetics of Coal and Its Macerals in Pyrolysis
• CHANG Hai-Zhou; ZENG Fan-Gui; LI Wen-Ying; LI Mei-Fen; LI Jun; XIE Ke-Chang
• The thermal behavior of maceral particles was investigated using the micro heating stage. The phenomena of devolatilizat...
• 2008, 24 (04): 675-680 DOI: 10.3866/PKU.WHXB20080422

• 2551Abstract/Metrics
• 2152 PDF(349KB)

• Synthesis of Mesoporous SnO₂ and Its Application in Lithium-Ion Battery
• WANG Jian-Hua; LI Bin; WU Hai-Yan; GUO Yu-Zhong
• Mesoporous SnO2 was synthesized using a cationic surfactant cetytrimethylammonium bromide (CTAB) as template and tin chl...
• 2008, 24 (04): 681-685 DOI: 10.3866/PKU.WHXB20080423

• 4316Abstract/Metrics
• 2920 PDF(652KB)

• Bond Characters and Thermodynamic Stabilities of LiAlH₄ and Li₃AlH₆
• LIANG Chu; LI Guang-Xu; LAN Zhi-Qiang; LIU Yi-Xin; WEI Wen-Lou; GUO Jin
• The electronic structures, formation enthalpies, and reaction enthalpies of Li-Al-H system complex were investigated usi...
• 2008, 24 (04): 686-690 DOI: 10.3866/PKU.WHXB20080424

• 3525Abstract/Metrics
• 2614 PDF(392KB)

• Promotion of Oxygen Reduction Reaction on Vitreous Carbon Electrode by DTAB
• ZHANG Xiao-Di; LI Wei-Shan; HUANG You-Ju; PENG Hai-Yan
• The effect of cationic surfactant, dodecyltrimethyl ammonium bromide (DTAB), on oxygen reduction reaction was studied by...
• 2008, 24 (04): 691-694 DOI: 10.3866/PKU.WHXB20080425

• 5312Abstract/Metrics
• 2591 PDF(210KB)

Note

• Dielectric and Luminescent Properties of Rare Earth-Doped Ba_0.6Sr_0.4TiO₃ Thin Films
• YU Dao; LIU Qian; LIU Qing-Feng
• Ba0.6Sr0.4TiO3:Re (BST:Re) thin films were synthesized by ion beam sputtering deposition. MgO(100) and Si(100) substrate...
• 2008, 24 (04): 695-699 DOI: 10.3866/PKU.WHXB20080426

• 3495Abstract/Metrics
• 2982 PDF(384KB)

• Application of Ultrathin Layer in White Organic Electroluminescent Devices
• DENG Zhao-Ru; YANG Sheng-Yi; MENG Ling-Chuan; LOU Zhi-Dong
• Based on 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H--pyran (DCJTB) acting as dopant and 2...
• 2008, 24 (04): 700-704 DOI: 10.3866/PKU.WHXB20080427

• 3023Abstract/Metrics
• 2216 PDF(249KB)

• Dynamic Measurements of Henry’s LawConstant of Aromatic Compounds Using Proton Transfer Reaction Mass Spectrometry
• LI Jian-Quan; SHEN Cheng-Yin; WANG Hong-Mei; HAN Hai-Yan; ZHENG Pei-Chao; XU Guo-Hua JIANG Hai-He; CHU Yan-Nan
• Henry’s lawconstants (HLC) of volatile aromatic compounds were determined using a dynamics approach by coupling a stripp...
• 2008, 24 (04): 705-708 DOI: 10.3866/PKU.WHXB20080428

• 3448Abstract/Metrics
• 2872 PDF(339KB)

• Determination of the Critical Micelle Concentration of Surfactant in Aqueous NaBr or n-Butanol Solution by DMABN
• LIN Cui-Ying; ZHAO Jian-Xi; SONG Li
• With p-N,N-dimethylaminobenzonitrile (DMABN) as probe, the variations of the intensity of its second fluorescence emissi...
• 2008, 24 (04): 709-714 DOI: 10.3866/PKU.WHXB20080429

• 3265Abstract/Metrics
• 2238 PDF(253KB)

• Interaction between Malachite Green and Bovine Serum Albumin
• CAO Tuan-Wu; YANG Ji-Dong
• The interaction between malachite green (MG) and bovine serum albumin (BSA) was investigated via fluorescence and ultrav...
• 2008, 24 (04): 715-719 DOI: 10.3866/PKU.WHXB20080430

• 3542Abstract/Metrics
• 2588 PDF(233KB)

• Insertion Reactions of the Germylenoid H₂C=GeLiCl with RH(R=F, OH, NH₂)
• LI Wen-Zuo; XIAO Cui-Ping; GONG Bao-An; CHENG Jian-Bo
• The insertion reactions of the germylenoid H2C=GeLiCl with RH(R=F, OH, NH2) were studied using the DFT B3LYP and QCISD m...
• 2008, 24 (04): 720-724 DOI: 10.3866/PKU.WHXB20080431

• 3127Abstract/Metrics
• 2354 PDF(208KB)

• Effect of Amino Acid on the Fluorescence of CdTe Quantum Dots
• WEN Li-Qun; LV Jian-Quan; LV Han-Qing; ZHOU Xing-Wang; SUN Ting-Quan
• Water-soluble CdTe quantum dots (GdTe-Qs) were prepared using mercaptocarboxylic acid as stabilizer, and effects of pH a...
• 2008, 24 (04): 725-728 DOI: 10.3866/PKU.WHXB20080432

• 4000Abstract/Metrics
• 2949 PDF(566KB)

Review

• Analysis of Thermal Decomposition Behavior Diversity of Host in a Supermolecule——Thermal Decomposition of Survived Cyclodextrin
• XU Peng; SONG Le-Xin
• The diversity of thermal decomposition behavior of host in a host-guest supermolecule was described in detail. The conce...
• 2008, 24 (04): 729-736 DOI: 10.3866/PKU.WHXB20080433

• 4013Abstract/Metrics
• 2462 PDF(448KB)