Acta Physico-Chimica Sinca
Acta Physico-Chimica Sinca
2008 Vol. 24,No. 02
Published:26 January 2008
Date of publication: 26 January 2008
Table of Contents
Table of Contents
Table of Contents for Vol.24 No.2
2008, 24 (02): 0-0
Electronic Structures and Fluorescent Spectra of 1,4-divinylphenyl-bridged Triphenylenes
CHEN Si-Cong; WANG Yu; CHEN Jue-Xiao; TENG Qi-Wen
A series of derivatives were designed based on the model compound 1,4-divinyphenyl-bridged triphenylene, and the structures were s...
2008, 24 (02): 187-192
Synthesis, Structure and Growth Mechanism of ZnS Nanowires with High Aspect Ratio
DENG Zhan-Qiang; QI Jun-Jie; ZHANG Yue; LIAO Qing-Liang; HUANG Yun-Hua; CAO Jia-Wei
ZnS nanowires were successfully synthesized through the direct reaction of Zn and S vapor via carbon-assisted chemical evaporation...
2008, 24 (02): 193-196
Oscillatory Behavior during the Partial Oxidation of Methane
REN Xiu-Bin; LI Huan-Ying; GUO Xiang-Yun
A simplified Monte Carlo model was proposed to simulate the oscillatory behavior during catalytic partial oxidation of methane. Us...
2008, 24 (02): 197-200
Electrochemical Behavior of Irreversibly Adsorbed Sb on Au Electrode
WU Qi-Hui; ZHEN Chun-Hua; ZHOU Zhi-You; SUN Shi-Gang
The electrochemical processes of irreversibly adsorbed antimony (Sbad) on Au electrode were investigated by cyclic voltammetry (CV...
2008, 24 (02): 201-204
Effect of Ce Doping on the Structure and Catalytic Activity of La
BULGAN G.; LIANG Shu-Hui; TENG Fei; YAO Wen-Qing; ZHU Yong-Fa
La1-xCexCoO3 (x=0, 0.05, 0.1, 0.2, 0.3) catalysts were synthesized by amorphous heteronuclear complexing method. The catalysts wer...
2008, 24 (02): 205-210
Catalytic Performance of La
Hexaaluminate-typed Aerosol Catalysts
ZHANG Ya-Yuan; JIANG Zheng; ZHANG Shi-Chao; ZHU Qing-Shan
La0.8Sr0.2FeMn1.5Al9.5O19-δ (LSFMAO) hexaaluminate aerosol was prepared by co-precipitation combined with supercritical drying and...
2008, 24 (02): 211-216
Addition Reaction of Pentacoordinated Silicon Compounds by R
SiX with NR’
BEI Yi-Ling; ZHU Chen-Fu; LIU Qing-Yang; QI Gui-Bin
The adducts R3SiX-NR’3 (R=H, CH3; X=F, Cl, Br, I; R’=H, CH3) formed in two addition modes were studied with DFT at B3LYP/6-31g(d,p...
2008, 24 (02): 217-222
Syntheis, Structure and Properties of Novel Quaternized Carboxymethyl Chitosan with Drug Loading Capacity
LIANG Xiao-Fei; WANG Han-Jie; TIAN Hui; LUO Hao; CHANG Jin
A modified approach to prepare novel amphipathic octadecyl-quaternized carboxymethyl chitosan (QACMC) was reported, in which carbo...
2008, 24 (02): 223-229
Electrodeposition of the Charge-Transfer Complex Generated during Electrooxidation of o-Tolidine and the Effects of Coexisting Chondroitin Sulfate
JIANG Xue-Qin; CAO Zhi-Jun; XIE Qing-Ji; YAO Shou-Zhuo
The electrochemical quartz crystal microbalance (EQCM) technique was used to investigate the electrodeposition of the charge-trans...
2008, 24 (02): 230-236
Structure and Electrochemical Capacitive Behavior of Novel Crystallite Carbon
SHI Zhi-Qiang; CHEN Ming-Ming; ZHAO Shuo; WANG Cheng-Yang
A novel crystallite carbon (NCC)was prepared by KOH activation of carbonized petroleumcoke precursors. The porous structure, cryst...
2008, 24 (02): 237-242
Effect of pH Value on the Adsorption Behavior and Inhibition Mechanism of Dodecylamine on Carbon Steel
LU Zhao-Ling; QIU Yu-Bing; GUO Xing-Peng
The effect of pH value on the adsorption behavior and inhibition mechanism of dodecylamine for carbon dioxide corrosion of carbon ...
2008, 24 (02): 243-249
Effect of Cooling Rates on Microstructures during Solidification Process of Liquid Metal Zn
LIN Yan; LIU Rang-Su; TIAN Ze-An; HOU Zhao-Yang; ZHOU Li-Li; YU Ya-Bin
A simulation study was performed for the effects of six different cooling rates on microstructure during solidification of liquid ...
2008, 24 (02): 250-256
Structure and Stability of (MN)
=1, 2) Clusters
JI Yong-Jun; WU Hai-Shun; ZHANG Fu-Qiang; JIA Jian-Feng
Using density functional theory associated with B3LYP method with 6-31G** and Lanl2dz basis sets, the optimization of the geometri...
2008, 24 (02): 257-262
Solvothermal Synthesis and Capacitance Performance of Co
with Different Morphologies
ZENG Wen-Wen; HUANG Ke-Long; YANG You-Ping; LIU Su-Qin; LIU Ren-Sheng
Nanostructured Co3O4 with different morphologies was synthesized by solvothermal method using different cobalt salts in water and ...
2008, 24 (02): 263-268
Ring-Opening Reaction Mechanism of 8-Hydroxyguanine Radical
HOU Ruo-Bing; LI Wei-Wei; SHEN Xing-Can
The theoretical studies on the mechanisms of ring-opening reaction of 8-hydroxyguanine radical were performed by the experimentall...
2008, 24 (02): 269-274
Electronic Velocity and Effective Mass of the Single-walled Carbon Nanotubes
ZHI Shao-Feng; ZHANG Zhen-Hua; QIU Ming; PENG Jing-Cui
Based on energy dispersion relation of the single-walled carbon nanotubes (SWCNTs), the electronic velocity and effective mass of ...
2008, 24 (02): 275-280
Construction of PharmacophoreModel of EGFRTK Inhibitor
CHEN Xi; LIU Xin-Xia; HUANG Hui; HU Hui-Hui; JIANG Feng-Chao
Epidermal growth factor receptor (EGFR) protein tyrosine kinases (TK) are attractive targets for anti-tumor drug design. So, a goo...
2008, 24 (02): 281-288
Interaction of Iron Atomand Nitrogen Molecule——the Side-on Structure
WANG Chao-Jie; CAI Yue-Piao
The side-on bounded FeN2 (s-FeN2 for short) structure was calculated using B3LYP/6-311+G(d) method. The geometric structures, elec...
2008, 24 (02): 289-295
Synthesis and Optical Properties of Water-Soluble CdTe Nanocrystals
WANG Yan; HOU Yan-Bing; TANG Ai-Wei; FENG Bin; LI Yan; TENG Feng
CdTe nanocrystals were synthesized in aqueous solution with different stabilizers (L-cysteine hydrochloride (L-Cys), 3-mercaptopro...
2008, 24 (02): 296-300
Pharmacophore Model Generation of HMG-CoA Reductase Inhibitors
BAO Hong-Juan; ZHANG Yan-Ling; QIAO Yan-Jiang
A three-dimensional pharmacophore model of 3-hydro-3-methyl glutaryl coenzyme A (HMG-CoA) reductase inhibitors (RI)was developed b...
2008, 24 (02): 301-306
Discovery of Inhibitors for gpIIb/IIIa Receptor from Chinese Herbal Drugs Database by Pharmacophore-Based Virtual Searching
LI Xu-Dong; XU Xiao-Jie; HU Juan
3D pharmacophore model was characterized using a training set of gpIIb/IIIa inhibitors which consisted of 20 3,4-dihydro-1(1H)-iso...
2008, 24 (02): 307-312
Fabrication of Ultra Thin Porous Alumina Membrane on Silicon Substrate
YANG Hao-Wei; ZHANG Zhang; DUAN Xiao-Nan; YU Hong-Kun; JIN Qing-Yuan
Details of the fabrication of an ultra thin porous alumina membrane (PAM) on silicon substrate with controllable height (thinner t...
2008, 24 (02): 313-316
Effects of pH on the PtRu/C Catalyst Prepared by Microwave-assisted Ethylene Glycol Process
LIANG Ying; LIAO Dai-Wei
PtRu nanoparticles supported on the carbon, with different mean particle sizes, were synthesized by microwave-assisted ethylene gl...
2008, 24 (02): 317-322
Electrocatalytic Reduction of Hydrogen Peroxide on Pd Nanoparticles
SUN Li-Mei; CAO Dian-Xue; WANG Gui-Ling; LU Yan-Zhuo; ZHANG Mi-Lin
Electrocatalytic reduction of H2O2 on Pd nanoparticles in acidic medium was investigated by linear potential sweep method using an...
2008, 24 (02): 323-327
Electronic Structure and Transport Properties of Armchair Graphene Nanoribbons
OUYANG Fang-Ping; XU Hui; LI Ming-Jun; XIAO Jin
Using first-principles electronic structure and transport calculations the electronic structure and transport properties of single...
2008, 24 (02): 328-332
Phase Equilibrium of Quaternary Reciprocal System Cd
O at 298 K
HUANG Yi; NI Shi-Jun; SANG Shi-Hua; WANG Pei-Dong
Phase equilibrium of quaternary system Cd2+, Na+//Cl-, SO2-4-H2O at 298 K was studied by isothermal method. The study showed that ...
2008, 24 (02): 333-337
Inhibition Action and Adsorption Behavior of POTAS and PDTAS on Copper in Alkaline Medium
ZHANG Xiu-Juan; LIU Rui-Quan; WANG Xian-Qun
Two pyrazolone compounds, POTAS and PDTAS, were synthesized and their inhibition action and adsorption behavior on copper in aqueo...
2008, 24 (02): 338-344
SERS of Formic Acid Electro-catalytic Oxidation on Au
RAO Gui-Shi; FAN Feng-Ru; WANG Guo-Fu; WU Zhi-Xiang; YI Fei; ZHONG Qi-Ling; REN Bin; TIAN Zhong-Qun
Aucore@Ptshell nanoparticleswere synthesizedby chemical reductionmethod. The sampleswere characterized by scanning electron micros...
2008, 24 (02): 345-349
Synthesis, Characterization and Micellization of Poly(acrylic acid)-g-Octylphenyl Polyoxylethylene Ether
WANG Fang-Ping; DU Xin-Zhen; WANG Chun; DONG Xiao-Li; CHEN Hui
An amphiphilic graft copolymer PAA-g-C8PhEO10Ac with poly(acrylic acid) as a main chain and octylphenyl polyoxylethylene ether(C8P...
2008, 24 (02): 350-354
Catalytic Synthesis and Luminescent Characteristics of GaN Nanorods
CHEN Jin-Hua; XUE Cheng-Shan; ZHUANG Hui-Zhao; LI Hong; QIN Li-Xia; YANG Zhao-Zhu
Rare earth metal seed Tb was employed for the growth of GaNnanorods. GaNnanorods were synthesized successfully through ammoniating...
2008, 24 (02): 355-358