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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2005 Vol. 21,No. 12
Published: 15 December 2005
Current column
ARTICLE
Note
Index
ARTICLE
Quantum Chemistry Study on the Abstraction Reaction of Germylene and Its Substituted Species with Thiirane
FANG Ran;GENG Zhi-Yuan;WANG Yong-Cheng;ZHANG Xing-Hui;WANG Dong-Mei;GAO Li-Guo;CHEN Xiao-Xia
The potential energy surfaces for the abstraction reaction of germylene with thiirane have been char-acterized in detail...
2005, 21 (12): 1331-1336.
DOI: 10.3866/PKU.WHXB20051201
5878
Abstract/Metrics
3041
PDF(954KB)
Direct Oxido-amination of Benzene to Aniline over Nickel-Vanadium Catalysts
XIA Yun-Sheng;ZHU Liang-Fang;LI Gui-Ying;HU Chang-Wei
A series of Ni-V/γ-Al2O3 catalysts were prepared and used in the one-step synthesis of aniline from benzene, hydrogen pe...
2005, 21 (12): 1337-1342.
DOI: 10.3866/PKU.WHXB20051202
6709
Abstract/Metrics
3466
PDF(266KB)
Adsorption Behavior of N
2
on Pd Surface
ZHU Yu;JIANG Gang;YU Gui-Feng;ZHU Zheng-He;WANG He-Yi;FU Yi-Bei
Based on the relativistic effective core potential (RECP/SDD) for Pd atom and AUG-cc-pVTZ basis function for N atom, the...
2005, 21 (12): 1343-1346.
DOI: 10.3866/PKU.WHXB20051203
6161
Abstract/Metrics
3270
PDF(167KB)
Theoretical Study on the Mechanism and Dynamics for the Reaction of HNCS with C2H(X2Π) Radica
LIU Peng-Jun;DU Qi-Shi;CHANG Ying-Fei;WANG Rong-Shun
The reaction mechanism of HNCS (isothiocyanic acid) and C2H(X2Π) radical has been investigated by using the density func...
2005, 21 (12): 1347-1351.
DOI: 10.3866/PKU.WHXB20051204
5144
Abstract/Metrics
2886
PDF(232KB)
Optical Emission Spectroscopy Diagnosis on Decomposition of NO in NO/N2 Mixtures in Dielectric Barrier Discharge Plasma
LIU Jing;NIU Jin-Hai;XU Yong;ZHU Ai-Min;SUN Qi;NIE Long-Hui
The optical emission spectroscopy of NO/N2 in dielectric barrier discharge (DBD) plasmas using a. c. with frequeucies of...
2005, 21 (12): 1352-1356.
DOI: 10.3866/PKU.WHXB20051205
5604
Abstract/Metrics
3262
PDF(207KB)
Synthesis and Properties of La
0.5
RE
0.3
Sr
0.2
Fe
O3-δ
(RE = Nd, Ce, Sm) System with Two Rare Earths for Cathodes
CHEN Yong-Hong;WEI Yi-Jun;ZHONG Hong-Hai;GAO Jian-Feng;LIU Xing-Qin;MENG Guang-Yao
Two rare earths composite oxides of La0.5RE0.3Sr0.2FeO3-δ(RE = Nd, Ce, Sm) with A-site doped Sr2+ samples were synthesiz...
2005, 21 (12): 1357-1362.
DOI: 10.3866/PKU.WHXB20051206
5698
Abstract/Metrics
3525
PDF(995KB)
Preparation and Characterization of TiO
2
/SiO
2
Aerogel Microspheres
PANG Ying-Cong;GAN Li-Hua;HAO Zhi-Xian;XU Zi-Jie;CHEN Long-Wu
TiO2/SiO2 aerogel microspheres were prepared by using TiOSO4 and silica sols as raw materials, and formamide as a drying...
2005, 21 (12): 1363-1367.
DOI: 10.3866/PKU.WHXB20051207
6106
Abstract/Metrics
3571
PDF(1284KB)
Density Functional Theory Study on the Ring-like Structure and Properties of Al
8
P
Cluster
ZHANG Cai-Rong;CHEN Hong-Shan;CHEN Yu-Hong;FENG Wang-Jun;LI Wei-Xue;XU Guang-Ji;KOU Sheng-Zhong
The hybrid density functional B3LYP has been used with basis set 6-31G* to study the equilibrium geometry, electronic st...
2005, 21 (12): 1368-1372.
DOI: 10.3866/PKU.WHXB20051208
5496
Abstract/Metrics
4345
PDF(1472KB)
Synthesis and Characterization of a Novel Precursor for BCN Compound
YANG Jian;QIU Tai;SHEN Chun-Ying
A novel precursor for BCN compound, C3H6N6(H3BO3)2, was synthesized with C3H6N6 melamine and H3BO3 as raw materials in a...
2005, 21 (12): 1373-1377.
DOI: 10.3866/PKU.WHXB20051209
5759
Abstract/Metrics
3284
PDF(663KB)
Zn(II) Adsorption and Precipitation on γ-MnOOH-Water Interfaces DFT and XANES Calculation
ZHU Meng-Qiang;PAN Gang;LIU Tao;LI Xian-Liang;YANG Yu-Huan;LI Wei;LI Jin;HU Tian-Dou;WU Zi-Yu;XIE Ya-Ning
Mechanisms of adsorption and precipitation of Zn(II) on γ-MnOOH-water interfaces were studied using DFT (density functio...
2005, 21 (12): 1378-1383.
DOI: 10.3866/PKU.WHXB20051210
7412
Abstract/Metrics
3905
PDF(675KB)
Harned’s Rule of HCl in Magnesium Sulfate Solutions
LÜ Xing-Mei;WANG Qin-Ping;ZHAO Gui-Zhen;CHEN Shu-Sen;LÜ Dian-Zhen
Many chemical and biochemical phenomena take place in solution, making the evaluation of solvent effects a critical elem...
2005, 21 (12): 1384-1389.
DOI: 10.3866/PKU.WHXB20051211
7758
Abstract/Metrics
3109
PDF(223KB)
DFT Study on the Geometric Structure and Raman Spectrum of meso-monophenylporphyrin (H2MPP)
ZHANG Ying-Hui;RUAN Wen-Juan;WU Yang
The geometric structure and Raman frequencies of meso-monophenylporphyrin (H2MPP) were studied by density-functional-the...
2005, 21 (12): 1390-1394.
DOI: 10.3866/PKU.WHXB20051212
6569
Abstract/Metrics
3513
PDF(192KB)
A Photoelectrochemical Study of the Nanostructured TiO
2
/P3HT Film Electrode
HAO Yan-Zhong;CAI Chun-Li
The photon-current conversion properties of ITO/poly(3-hexylthiophene) (ITO/P3HT) and nanostructured TiO2/P3HT film elec...
2005, 21 (12): 1395-1398.
DOI: 10.3866/PKU.WHXB20051213
5443
Abstract/Metrics
3592
PDF(210KB)
Note
Electrochemical and Catalytic Properties of Ferrocene/L-cysteine Modified Electrode
DENG Xiang-Hui;KAN Xian-Wen;YU Yan;ZHANG Wen-Zhi;LIU Hong-Ying;FANG Bin
Stable electrode modified by aminylferrocene/L-cysteine(L-Cys) was fabricated successfully by linking aminylferrocene to...
2005, 21 (12): 1399-1402.
DOI: 10.3866/PKU.WHXB20051214
6244
Abstract/Metrics
3698
PDF(219KB)
Determination of Critical Micellar Aggregation Numbers of CTTTA by Steady-state Fluorescence Probe Method
LI Xin-Bao;XU Li;MENG Xiao-Wei;HAN Zhi-Hui;LUO Ting-Liang;LIU Guo-Ji
Aggregation numbers of micelle of citric triester of tridodecyl triammonium (CTTTA) were determined by steady-state fluo...
2005, 21 (12): 1403-1406.
DOI: 10.3866/PKU.WHXB20051215
5997
Abstract/Metrics
4593
PDF(236KB)
Synthesis and Electrophosphorescence of a Red Platinum (II) Quinoxaline Complex
ZHANG Guo-Lin;CHUAI Yu-Tao;GUO Hai-Qing;ZOU De-Chun
The synthesis and luminescence study of a new platinum quinoxaline complex are reported. The complex, [(DPQ)Pt(acac)](DP...
2005, 21 (12): 1407-1410.
DOI: 10.3866/PKU.WHXB20051216
5480
Abstract/Metrics
3338
PDF(231KB)
Small Amplitude Oscillation Frequency Sweep of Lamellar Liquid Crystal
WANG Hong-Xia;ZHANG Gao-Yong;LIU Dian-Sheng;ZHANG Xin-Wei;XIAO Yong-Hong
The viscoelastic properties of lamellar liquid crystal, formed by non-ionic surfactant, were studied with small amplitud...
2005, 21 (12): 1411-1414.
DOI: 10.3866/PKU.WHXB20051217
5759
Abstract/Metrics
2817
PDF(216KB)
A Study on Complexation between α-cyclodextrin and Bis-quaternary Ammonium Surfactants
QIU Xiao-Mei; LI Ling; WEI Xi-Lian; YIN Bao-Lin; SUN De-Zhi
The inclusion interaction between α-cyclodextrin (α-CD) with three cationic gemini surfactants, (CnN)2Cl2 (n =12, 14, 16...
2005, 21 (12): 1415-1418.
DOI: 10.3866/PKU.WHXB20051218
5803
Abstract/Metrics
3615
PDF(229KB)
Preparation of Rodlike ZnO Particles by Direct Precipitation Reaction
REN Xiang-Ling; HAN Dong; CHEN Dong; XIA Hai-Long; WANG Dong; TANG Fang-Qiong
Rodlike ZnO particles were directly precipitated by using zinc acetate and triethanolamine via a simple solution route a...
2005, 21 (12): 1419-1421.
DOI: 10.3866/PKU.WHXB20051219
5406
Abstract/Metrics
4079
PDF(1652KB)
The Behavior of Electrochemical Oxidation of Thiosulfate on Platinum Electrode
XU Liang-Qin; DU Zhan-He; FENG Jia-Min; LÜ Xiao-Li; GAO Qing-Yu
The electrochemical oxidation of thiosulfate on platinum electrode was investigated by cyclic voltammetry. The results o...
2005, 21 (12): 1422-1425.
DOI: 10.3866/PKU.WHXB20051220
6025
Abstract/Metrics
3945
PDF(215KB)
Surface Properties of Sodium Alkylbenzenesulfonates with Additional Side Chains
JIANG Xiao-Ming; ZHANG Lu; AN Jing-Yi; ZHAO Sui; YU Jia-Yong
The relationships between the structures of sodium alkylbenzensulfonates with additional side chains and surface propert...
2005, 21 (12): 1426-1430.
DOI: 10.3866/PKU.WHXB20051221
5731
Abstract/Metrics
3608
PDF(204KB)
Effect of Lanthanum Complex on Isothermal Crystallization Kinetics of Isotatic Polypropylene
FENG Jia-Chun; DUAN Yu; JIAO Ying; ZHANG Xiu-Ju; CHEN Ming-Cai
The influence of a lanthanum complex (LaC) on the crystalline characteristics of isotactic polypropylene (iPP) has been ...
2005, 21 (12): 1431-1435.
DOI: 10.3866/PKU.WHXB20051222
5540
Abstract/Metrics
3364
PDF(226KB)
Index
Classified Subject Index for Vol.21
2005, 21 (12): 1436-1454.
2479
Abstract/Metrics
4867
PDF(3130KB)
Author Index for Vol.21
2005, 21 (12): 1455-1466.
1802
Abstract/Metrics
3373
PDF(223KB)