- 2012 Vol. 28,No. 08Published:10 July 2012 Date of publication: 10 July 2012
- Current column
- Table of Contents
- THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
- THEORETICAL AND COMPUTATIONAL CHEMISTRY
- ELECTROCHEMISTRY AND NEW ENERGY
- CATALYSIS AND SURFACE SCIENCE
- PHOTOCHEMISTRY AND RADIATION CHEMISTRY
- BIOPHYSICAL CHEMISTRY
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Table of Contents
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- Cover and Table of Contents for Vol.28 No. 8
- 2012, 28 (08): 0-0
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THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
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- Gas-Liquid Phase Boundary Lines and Critical Curve for the Water+Methane System
- TIAN Yu-Qin, TIAN Yi-Ling, ZHAO Lin, ZHU Rong-Jiao, MA Chao
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The isothermal gas-liquid phase boundary lines and critical curve were determined for the water+methane system. Experiments wer...
- 2012, 28 (08): 1803-1808 DOI: 10.3866/PKU.WHXB201205211
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- Lattice Energies and Elastic Properties of Solid Methane: Assessment of Different Density Functionals
- ZHENG Zhao-Yang, ZHAO Ji-Jun
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The performance of density functional theory (DFT) with and without dispersion energy correction for describing van der Waals (...
- 2012, 28 (08): 1809-1814 DOI: 10.3866/PKU.WHXB201205242
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- Crystal Structures and Pore Stability of Coordination Polymers Constructed by Nicotinic Acid and Isonicotinic Acid with Co(II)
- HUA Xiao-Hui, LI Wei-Hong, XU Yi-Zhuang, WU Jin-Guang
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Nicotinic acid and isonicotinic acid were utilized to react with Co(NO3)2 in N,N'- dimethylforma...
- 2012, 28 (08): 1815-1822 DOI: 10.3866/PKU.WHXB201206123
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- Ion Pairs in Aqueous Magnesium Nitrate Solution by Excess Raman Spectroscopy
- WANG Chen-Chen, LIN Ke, HU Nai-Yin, ZHOU Xiao-Guo, LIU Shi-Lin
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We study the ion associations in magnesium nitrate solution by Raman spectroscopy. Utilizing the excess spectra and peak decomp...
- 2012, 28 (08): 1823-1829 DOI: 10.3866/PKU.WHXB201205154
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THEORETICAL AND COMPUTATIONAL CHEMISTRY
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- Two Possible Photoreaction Pathways on the L-Valine Optical Isomerization
- MA Chi-Cheng, PU Min, WEI Min, LI Jun-Nan, LI Zhi-Hong
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The photoreaction mechanism of L-valine optical isomerization was studied by the density functional theory (DFT) and ab ini...
- 2012, 28 (08): 1830-1836 DOI: 10.3866/PKU.WHXB201205162
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- Secondary Structure and Vibrational Spectral Feature of Alanine Dipeptide
- CAI Kai-Cong, LIU Shan-Hong, LIU Di-Wen, LIN Shen
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Ab initio calculation was performed on the model peptide compound alanine dipeptide. The population of the secondary s...
- 2012, 28 (08): 1837-1842 DOI: 10.3866/PKU.WHXB201205021
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- A Tight-Binding Density Functional Theory Study on Single-Walled Nanotubes from Anatase TiO2 (101) Sheets
- LIU Hao, LIN Meng-Hai, TAN Kai
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A series of chiral anatase (101) nanotubes (NT), which we refer to as (n,0), (0,m), and (n,m), can b...
- 2012, 28 (08): 1843-1848 DOI: 10.3866/PKU.WHXB201205291
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- Selectivity of [2+2] C＝O Cycloaddition and α-H Cleavage of Carbonyl Compounds on Si(100) Surface
- ZHANG Ji-Chao, CHENG Xue-Li, CHENG Yu-Qiao, MENG Xiang-Hua, LIU Yong-Jun, LIU Cheng-Bu
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Recent studies have demonstrated that a simple ketone [acetone, (CH3)2C＝O)] reacts with the Si(100) surfa...
- 2012, 28 (08): 1849-1853 DOI: 10.3866/PKU.WHXB201206081
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- Hydrogen Storage Properties of B12Sc4 and B12Ti4 Clusters
- MA Li-Juan, WANG Jian-Feng, JIA Jian-feng, WU Hai-Shun
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The structures and hydrogen storage properties of two stable B12Sc4 and B12Ti4 clus...
- 2012, 28 (08): 1854-1860 DOI: 10.3866/PKU.WHXB201205151
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- Coverage-Dependent Adsorption of X Clusters (X=Pt-Au, Au-Au) on the Defect-Free (3×2) TiO2(110) Surface
- ZHAO Wei-Na, LIN Hua-Xiang, LI Yi, ZHANG Yong-Fan, HUANG Xin, CHEN Wen-Kai
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Based on spin-polarized density functional theory and generalized gradient approximation (DFT-GGA) calculations, the coverage-d...
- 2012, 28 (08): 1861-1868 DOI: 10.3866/PKU.WHXB201205214
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- Influence of Interlayer Water Content on Supermolecular Interaction of Copper-Iron Layered Double Hydroxides
- SHI Wei, HU Jun, NI Zhe-Ming, LI Yuan, LIU Jiao
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A periodic interaction model was proposed for the copper-iron layered double hydroxides, Cu3Fe-LDHs-yH...
- 2012, 28 (08): 1869-1876 DOI: 10.3866/PKU.WHXB201205212
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- Effect of Doping with Aluminium on the Electronic Structure and Hydrogen Storage Properties of Mg2Ni Alloy
- LAN Zhi-Qiang, XIAO Xiao, SU Xin, CHEN Jie-Shi, GUO Jin
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Using plane wave pseudopotential methods based on density functional theory, the unit cell volumes, the electronic densities of...
- 2012, 28 (08): 1877-1884 DOI: 10.3866/PKU.WHXB201205281
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- Effect of Donor Moieties on the Electronic Structures and Absorption Spectra of Indoline Dyes
- LIANG Gui-Jie, ZHONG Zhi-Cheng, CHEN Mei-Hua, XU Jie, XU Wei-Lin, HE Ping, HOU Qiu-Fei, LI Zai-Fang
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The electronic structures and absorption spectra of indoline dyes containing different donors (ID1-ID3) were investigated by de...
- 2012, 28 (08): 1885-1891 DOI: 10.3866/PKU.WHXB201205301
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- Theoretical Study of Gas-Phase Reaction of YS+ (1Σ+, 3Φ) with COS: YS++COS→YS2++CO
- YANG Shu, YANG Xiao-Mei, XIE Xiao-Guang
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The gas-phase reactions of YS+ (1Σ+, 3Φ) with an S-tran...
- 2012, 28 (08): 1892-1898 DOI: 10.3866/PKU.WHXB201205241
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ELECTROCHEMISTRY AND NEW ENERGY
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- Improved Electrochemical Stability of Zn-Doped LiNi1/3Co1/3Mn1/3O2 Cathode Materials
- LI Jie-Bin, XU You-Long, DU Xian-Feng, SUN Xiao-Fei, XIONG Li-Long
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Highly stable Li(Ni1/3Co1/3Mn1/3)1-xZnxO2 (...
- 2012, 28 (08): 1899-1905 DOI: 10.3866/PKU.WHXB201205152
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- Preparation and Electrochemical Performance of Microporous Carbon Microspheres Obtained from Potato Starch
- FU Xiao-Ting, JIA Fan, LI Wen-Bin, CHEN Ming-Ming, WANG Cheng-Yang
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Potato starch, as an extensive biomass with natural globular structure, had been used to prepare microporous carbon microsphere...
- 2012, 28 (08): 1906-1912 DOI: 10.3866/PKU.WHXB201205221
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- Electrodepositied Gallium on Gallium and Copper/Indium Substratess
- ZHANG Chao, AO Jian-Ping, WANG Li, JIANG Tao, SUN Guo-Zhong, HE Qing, ZHOU Zhi-Qiang, SUN Yun
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We investigate the electrodeposition of gallium metallic precursor on gallium and Cu/In substrates from acidic aqueous solution...
- 2012, 28 (08): 1913-1922 DOI: 10.3866/PKU.WHXB201205153
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- Effect of Sodium D-Gluconate-Based Inhibitor in Preventing Corrosion of Reinforcing Steel in Simulated Concrete Pore Solutions
- YANG Rong-Jie, GUO Ya, TANG Fang-Miao, WANG Xiao-Ping, DU Rong-Gui, LIN Chang-Jian
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The corrosion behavior of reinforcing steel in simulated concrete pore solutions with and without corrosion inhibitors was stud...
- 2012, 28 (08): 1923-1928 DOI: 10.3866/PKU.WHXB201205292
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- Layered Double Hydroxide Supported Palladium Nanoparticles for Electrocatalytic Oxidation of Hydrazine
- JIN Rong-Rong, LI Li-Fang, XU Xue-Feng, LIAN Ying-Hui, ZHAO Fan
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A Mg-Al layered double hydroxide (LDH) was prepared from Mg(NO3)2·6H2O and Al((NO3...
- 2012, 28 (08): 1929-1935 DOI: 10.3866/PKU.WHXB201205231
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CATALYSIS AND SURFACE SCIENCE
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- Effect of Doping M (M = Mn, Y) into Ce0.50Zr0.50O2 on the Properties of MnOx/Ce0.50-zZr0.50-zM2zOy/Al2O3 for Catalytic Combustion of Ethyl Acetate
- CAO Hong-Yan, WANG Jian-Li, YAN Sheng-Hui, LIU Zhi-Min, GONG Mao-Chu, CHEN Yao-Qiang
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The effect of doping M (M = Mn,Y) into ceria-zirconia solid solutions on the activity of MnOx/Ce0.50-<...
- 2012, 28 (08): 1936-1942 DOI: 10.3866/PKU.WHXB201205173
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- Properties of the Nano-Particle Fe-based Catalyst for the Hydrogenation of Carbon Dioxide to Hydrocarbons
- ZHENG Bin, ZHANG An-Feng, LIU Min, DING Fan-Shu, DAI Cheng-Yi, SONG Chun-Shan, GUO Xin-Wen
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Combining co-precipitation-gelation, mechanical mixing and impregnation methods, a series of catalysts of FeK-M/γ
- 2012, 28 (08): 1943-1950 DOI: 10.3866/PKU.WHXB201206051
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- Catalytic Properties of Ni /MWCNT and La-Promoted Ni /MWCNT for Methanation of Carbon Dioxide Reaction
- ZHANG Rong-Bin, LIANG Lei, ZENG Xian-Rong, SHANG Jin-Yan, WANG Tao, CAI Jian-Xin
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Nickel multiwalled carbon nanotubes (Ni/MWCNT) and lanthanum-promoted Ni/MWCNT were successfully synthesized by impregnation. M...
- 2012, 28 (08): 1951-1956 DOI: 10.3866/PKU.WHXB201206041
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- Preparation, Structure and Performance of [CuO-ZnO-Al2O3]/ [HZSM-5] Core-Shell Bifunctional Catalysts for One-Step Synthesis of Dimethyl Ether from CO2+H2
- YANG Xiao-Yan, SUN Song, DING Jian-Jun, ZHANG Yi, ZHANG Man-Man, GAO Chen, BAO Jun
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A series of core-shell bifunctional catalysts [CuO-ZnO-Al2O3]/[HZSM-5] for one-step synthesis of dimethyl...
- 2012, 28 (08): 1957-1963 DOI: 10.3866/PKU.WHXB201206011
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- Structure and Performance of Cu-Fe Bimodal Support for Higher Alcohol Syntheses
- LIU Jian-Guo, DING Ming-Yue, WANG Tie-Jun, MA Long-Long
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Copper-iron modified bimodal support (M) with different mass fractions of Cu and Fe elements were prepared by an ultrasonic imp...
- 2012, 28 (08): 1964-1970 DOI: 10.3866/PKU.WHXB201205213
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- One-Step Hydrothermal Synthesis and Visible-Light Photocatalytic Activity of Ultrafine Cu-Nanodot-Modified TiO2 Nanotubes
- ZHAO Peng-Jun, WU Rong, HOU Juan, CHANG Ai-min, GUAN Fang, ZHANG Bo
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One dimensional titanate nanotubes modified with copper nanospheres were synthesized through a facile one-step hydrothermal pro...
- 2012, 28 (08): 1971-1977 DOI: 10.3866/PKU.WHXB201206111
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- Visible Light Photocatalytic Properties of Bi3.25La0.75Ti3O12 Nanowires
- LIN Xue, Lü Peng, GUAN Qing-Feng, LI Hai-Bo, LI Hong-Ji, CAI Jie, ZOU Yang
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Lanthanum-doped bismuth titanate (Bi3.25La0.75Ti3O12, BLT) nanowires were synthesiz...
- 2012, 28 (08): 1978-1984 DOI: 10.3866/PKU.WHXB201205172
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- Structure and Properties of BiOI/TiO2 (A) Photocatalysts with Different Bi/Ti Molar Ratios
- LI Hui-Quan, CUI Yu-Min, WU Xing-Cai, HUA Lin, HONG Wen-Shan
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BiOI-sensitized nano-anatase (TiO2 (A)) photocatalysts were prepared by a deposition method at room temperature, and...
- 2012, 28 (08): 1985-1991 DOI: 10.3866/PKU.WHXB201205161
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PHOTOCHEMISTRY AND RADIATION CHEMISTRY
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- Synthesis and Photophysical Behavior of Two Novel Bis(1,8-naphthalimides) Containing Triazine Spacers
- SHEN Jian-Lei, YANG Xin-Guo, HUANG Liao, SHEN Qi-Li, LIU Zhen-Hui, ZHANG Feng-Ju
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Two novel bis(1,8-naphthalimides) (3 and 5) containing triazine spacers have been synthesized from 1,8-naphthalic anhydride and...
- 2012, 28 (08): 1992-1999 DOI: 10.3866/PKU.WHXB201205282
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- Synthesis and Optoelectronic Properties of Blue-Emitting Star-Burst Oligomers Based on Triphenylamine and Spiro(fluorene-9,9'-xanthene)
- CHU Zeng-Ze, WANG Dan, ZHANG Chao, ZOU De-Chun
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Three star-burst conjugated oligomers based on triphenylamine (TPA), fluorene and spiro (fluorene-9,9'-xanthene) (SFX) have bee...
- 2012, 28 (08): 2000-2007 DOI: 10.3866/PKU.WHXB201206071
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BIOPHYSICAL CHEMISTRY
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- Structural Properties of the Liquid Ordered Phase of Phosphatidylcholine/Stigmasterol Liposomes: A Synchrotron X-Ray Diffraction Study
- WU Rui-Guang, CHEN Lin, YU Zhi-Wu
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The properties of the liquid ordered (Lo) phase of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC)/stigm...
- 2012, 28 (08): 2008-2014 DOI: 10.3866/PKU.WHXB201205171
