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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2006 Vol. 22,No. 09
Published:04 September 2006
Date of publication: 04 September 2006
Current column
Communication
ARTICLE
Note
Review
Communication
Chemical Thermal Decomposition of 2-iodoethanol on Ni(100)
ZHAO Qing;ZHANG Hui-Min;ZAERA Francisco
The temperature-programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS) were used to study the adsorption...
2006, 22 (09): 1043-1046.
DOI: 10.3866/PKU.WHXB20060901
4649
Abstract/Metrics
3973
PDF(401KB)
ARTICLE
Theoretical Study on the Decomposition of DMP and DEP in Condensed Phase∶Solvent Effect and Tunneling Effect
JIANG Hui;WU Tao;LI Hao-Ran
A systemic theoretical study on the decomposition of 2,2-dimethoxypropane (DMP) and 2,2-diethoxy- propane (DEP) in conde...
2006, 22 (09): 1047-1051.
DOI: 10.1016/S1872-1508(06)60045-4
4152
Abstract/Metrics
3419
PDF(294KB)
A New Peptide Sequences Representation Technique and Support Vector Machine for Quantitative Structure-Retention Modeling of Peptides in HPLC
LIANG Gui-Zhao;LI Zhi-Liang;ZHOU Yuan;He Liu;ZHOU Peng
A new representation technique for peptide sequences, namely SZOTT(scores vector of zero dimension, one dimension, two d...
2006, 22 (09): 1052-1055.
DOI: 10.3866/PKU.WHXB20060903
3905
Abstract/Metrics
Supporting Info
4814
PDF(205KB)
Alignment Behavior of Liquid Crystals on the Crosslinked Film of Monomers with Fluorinated Groups
FEI Chun-Hong;ZHANG Ling-Li;YAO Li-Shuang;LV Feng-Zhen;AO Zhi-Min;PENG Zeng-Hui;XUAN Li
A series of photosensitive monomers, including hexafluorobiphenol A dicinnamate ester (6F-BADE) and fluorinated dicinnam...
2006, 22 (09): 1056-1060.
DOI: 10.3866/PKU.WHXB20060904
4482
Abstract/Metrics
3399
PDF(902KB)
In situ
Raman Spectroscopy of Langmuir Monolayers at Air-Water Interface
GUO Hao;DAI Shu-Xi;SUN Cheng-Feng;WU Chao;HUANG Ya-Bin;DU Zu-Liang
A new approach for the acquisition of in situ Raman spectra of Langmuir monolayers at air-water interface with minimal i...
2006, 22 (09): 1061-1064.
DOI: 10.3866/PKU.WHXB20060905
4120
Abstract/Metrics
3393
PDF(229KB)
A Study of Cage-type Inclusion Complexes of Modified
β
-cyclodextrins with 2′-ethylhexyl-4-(
N
,
N
-dimethylamino)-benzoate
DU Xin-Zhen;ZHOU Rong;TAO Xiao-Juan;WANG Fang-Ping;CHEN Hui
The inclusion of 2′-ethylhexyl-4-(N, N-dimethylamino)-benzoate (EHDAB) into methylated β-cyclodextrin (M-CD) ...
2006, 22 (09): 1065-1070.
DOI: 10.1016/S1872-1508(06)60046-6
4642
Abstract/Metrics
3105
PDF(271KB)
Theoretical Prediction of Crystal Structure of
N
-(1-naphthyl) Succinimide Compound
YUAN Wei;LI He-Xian;WANG Ying;WANG Guo-Chang
The indexing for experimental X-ray diffraction powder patterns of polycrystalline sample was performed on N-(1-naphthyl...
2006, 22 (09): 1071-1074.
DOI: 10.3866/PKU.WHXB20060907
4574
Abstract/Metrics
3524
PDF(398KB)
Viscoelastic Behavior and the Ability of Dissipating Energy of SiO
2
Dispersions under Stress Shear
WU Qiu-Mei;RUAN Jian-Ming;HUANG Bai-Yun;ZHOU Zhong-Cheng;ZOU Jian-Peng
The viscoelastic behavior and the ability of dissipating energy of fumed silica dispersions in ethylene glycol, propylen...
2006, 22 (09): 1075-1078.
DOI: 10.1016/S1872-1508(06)60047-8
4216
Abstract/Metrics
3869
PDF(206KB)
Theoretical Study on the Electronic Spectra of
cis
-HOOOH and
trans
-HOOOH
WANG Lian-Bin;WU Wen-Peng;ZHANG Jing-Lai;CAO Ze-Xing
Equilibrium geometries of cis-HOOOH and trans-HOOOH have been investigated using the density functional theory (DFT), co...
2006, 22 (09): 1079-1084.
DOI: 10.1016/S1872-1508(06)60048-X
7547
Abstract/Metrics
3701
PDF(367KB)
Effect of Electronegativity and Polarizability on the C 1
s
Core Ionization Energies of Halomethanes
CAO Chen-Zhong;ZENG Rong-Jin
The charge and relaxation effects on the C 1s core ionization energies of halomethanes CHnY4−n−mZ (Y, Z=F, C...
2006, 22 (09): 1085-1089.
DOI: 10.1016/S1872-1508(06)60049-1
5116
Abstract/Metrics
3570
PDF(172KB)
Swelling-Shrinking of Non-close-packed Photonic Crystal Gels
DONG Jian;CAO Yue-Xia;LIU Liang-Liang;XU Gui-Lan;QIAN Wei-Ping
The non-close-packed photonic crystal gels (NCPPCGs) with the range of Bragg diffractive peaks from 700 nm to 800 nm wer...
2006, 22 (09): 1090-1094.
DOI: 10.3866/PKU.WHXB20060911
3702
Abstract/Metrics
3219
PDF(913KB)
Investigation of the Mechanism of the Reaction between Atomic Oxygen Radical Anion and Benzene
ZHAO Ying-Guo;ZHOU Xiao-Guo;YU Feng;DAI Jing-Hua;LIU Shi-Lin
The reaction mechanism between atomic oxygen radical anion and benzene has been investigated using the density functiona...
2006, 22 (09): 1095-1100.
DOI: 10.1016/S1872-1508(06)60050-8
5753
Abstract/Metrics
3157
PDF(260KB)
Effect of Grafted Hydroxyl on the Electronic Structure of Finite-length Carbon Nanotubes
ZHANG Hua;CHEN Xiao-Hua;ZHANG Zhen-Hua;QIU Ming
Based on the density-functional theory(DFT) and the first-principle method, the electronic distribution and the density ...
2006, 22 (09): 1101-1105.
DOI: 10.3866/PKU.WHXB20060913
5266
Abstract/Metrics
3544
PDF(1185KB)
Photodissociation Dynamics of
n
-C
7
H
15
Br Molecule by Ion Velocity Imaging
QU Hong-Bo;LIANG Feng;WEI Zheng-Rong;LI Hai-Yang;ZHANG Bing
Photodissociation dynamics of n-C7H15Br molecule was investigated at different wavelengths of 231 to 239 nm by an ion im...
2006, 22 (09): 1106-1110.
DOI: 10.3866/PKU.WHXB20060914
4652
Abstract/Metrics
3163
PDF(350KB)
The Electrochemical Properties of LiF-Ni Nanocomposite Thin Film
ZHOU Yong-Ning;WU Chang-Liang;ZHANG Hua;WU Xiao-Jing;FU Zheng-Wen
Nanocomposite of LiF-Ni with a highly heterogeneous mixture was fabricated using pulsed laser deposition (PLD) method, a...
2006, 22 (09): 1111-1115.
DOI: 10.1016/S1872-1508(06)60051-X
4457
Abstract/Metrics
3506
PDF(993KB)
Deep Desulfurization by Selective Adsorption on Heteroatom Zeolite Prepared by Secondary Synthesis
TANG Ke;SONG Li-Juan;DUAN Lin-Hai;LI Xiu-Qi;GUI, Jian-Zhou;SUN Zhao-Lin
Gallium atoms had been introduced into the framework of Y zeolite by treatment of zeolites with an aqueous solution of a...
2006, 22 (09): 1116-1120.
DOI: 10.3866/PKU.WHXB20060916
4875
Abstract/Metrics
4027
PDF(245KB)
Three Dimensional Ordered Macroporous ZrO
2
Prepared by Directly Calcining ZrOCl
2
SHEN Yong;WU Quan-Zhou;LI Yu-Guang
Three dimensional ordered macroporous (3DOM) zirconium dioxides with pore diameters of about 500 nm are successfully pre...
2006, 22 (09): 1121-1125.
DOI: 10.3866/PKU.WHXB20060917
5363
Abstract/Metrics
3586
PDF(1485KB)
Theoretical Studies of the Adsorption and Dissociation of Two NO Molecules on Cu
2
O(111) Surface
SUN Bao-Zhen;CHEN Wen-Kai;XU Xiang-Lan
The adsorption and dissociation of two NO molecules on Cu2O(111) surface have been studied with periodic slab model by D...
2006, 22 (09): 1126-1131.
DOI: 10.1016/S1872-1508(06)60052-1
6381
Abstract/Metrics
3326
PDF(850KB)
Surficial Structure and Charge Effects of Ni Promoted K
2
CO
3
/MoS
2
Catalysts for Higher Alcohols Synthesis
LI De-Bao;QI Hui-Jie;LI Wen-Huai;SUN Yu-Han;ZHONG Bing
The surficial characters and charge effects of the modified K2CO3/MoS2 catalysts with different Ni content were investig...
2006, 22 (09): 1132-1136.
DOI: 10.3866/PKU.WHXB20060919
5569
Abstract/Metrics
3452
PDF(213KB)
Molecular Dynamics Simulation of Na-montmorillonite and Na/Mg-montmorillonite Hydrates
NA Ping;ZHANG Fan;LI Yan-Ni
Molecular dynamics (MD) is used to investigate the structural and diffusive properties of interlayer species, namely wat...
2006, 22 (09): 1137-1142.
DOI: 10.1016/S1872-1508(06)60053-3
4680
Abstract/Metrics
3634
PDF(529KB)
Note
Preparation and Optical Properties of CdTe and 2,4,6-tri [
N
-(4-hydroxyphenyl)maleimide]-triazine Hybrid Nanocomposites
JIA Rui-Jie;WANG Pei;GUO Rui-Qian;WEI Wei;HAN Jian-Tao;PENG Bo;HUANG Wei
CdTe quantum dots (QDs) stabilized by mercaptopropionic acid (MPA) with strong fluorescence were prepared in aqueous sol...
2006, 22 (09): 1143-1146.
DOI: 10.3866/PKU.WHXB20060921
4656
Abstract/Metrics
3631
PDF(410KB)
Silicon Nanowires Produced by SiO-Au Method
PAN Guo-Wei
Large-scale silicon nanowires (SiNWs), which consist of a crystalline silicon core and a thick oxide shell with a length...
2006, 22 (09): 1147-1150.
DOI: 10.3866/PKU.WHXB20060922
4203
Abstract/Metrics
3500
PDF(1578KB)
The Measurement and Application of Hydrogen Diffusion Coefficient in MH Electrode
HU Dao-Zhong;CHEN Shi;WANG Zi-Dong;ZHAO Shu-Hong
The average value of hydrogen diffusion coefficient in metal hydride (MH) electrode was measured by constant current dis...
2006, 22 (09): 1151-1154.
DOI: 10.3866/PKU.WHXB20060923
4258
Abstract/Metrics
3948
PDF(646KB)
Bipolar Pulse Current Charge Method for Inhibiting the Formation of Lithium Dendrite
CHEN Ling;LI Xue-Li;ZHAO Qiang;CAI Wen-Bin;JIANG Zhi-Yu
A bipolar pulse current charge method was developed to charge lithium metal electrode in 1 mol•L−1 LiPF6/eth...
2006, 22 (09): 1155-1158.
DOI: 10.3866/PKU.WHXB20060924
4202
Abstract/Metrics
4538
PDF(445KB)
Terahertz Time-Domain Spectroscopy of D-, L-, and DL- Penicillamines
JI Te;ZHAO Hong-Wei;ZHANG Zeng-Yan;GE Min;WANG Wen-Feng;YU Xiao-Han;XU Hong-Jie
Far-infrared absorption spectra of D-, L-, and DL- penicillamines have been measured by terahertz time-domain spectrosco...
2006, 22 (09): 1159-1162.
DOI: 10.3866/PKU.WHXB20060925
4073
Abstract/Metrics
3268
PDF(300KB)
Studies on Biomineral Synthesis of SiO
2
Nanostructured Materials by Yeast Cells as Templates
YU Yuan-Hua;GUO Feng;GUO Hong-Yu
According to the phenomena that inorganic salt may deposit on biological cell membrane and the biomineralization theory,...
2006, 22 (09): 1163-1167.
DOI: 10.3866/PKU.WHXB20060926
4203
Abstract/Metrics
3559
PDF(650KB)
Review
Simulation and Design for Energy Storage Materials
ZHOU Zhen;YAN Tian-Ying;GAO Xue-Ping
Popular computational methods were reviewed, such as first-principle calculations, molecular dynamics simulation, and Mo...
2006, 22 (09): 1168-1174.
DOI: 10.3866/PKU.WHXB20060927
5472
Abstract/Metrics
5570
PDF(1077KB)