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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2008 Vol. 24,No. 04
Published: 07 April 2008
Current column
Table of Contents
ARTICLE
Note
Review
Table of Contents
Table of Contents for Vol.24 No.4
2008, 24 (04): 0.
2254
Abstract/Metrics
2858
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
4425
Abstract/Metrics
2510
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
6964
Abstract/Metrics
3344
PDF(645KB)
Nanostructured CoMoO
4
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
6141
Abstract/Metrics
2835
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
4605
Abstract/Metrics
2421
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
4783
Abstract/Metrics
2677
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
5383
Abstract/Metrics
2720
PDF(703KB)
Au/
γ
-Al
2
O
3
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
5021
Abstract/Metrics
2646
PDF(1012KB)
Reaction Mechanism and Kinetics for the Reaction of ·OH+CH
3
CN
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
5124
Abstract/Metrics
2308
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
6551
Abstract/Metrics
3081
PDF(760KB)
Super-Molecular Interaction between Cl
-
and H
2
O 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
5669
Abstract/Metrics
2872
PDF(1117KB)
Preparation and Characterization of Room-temperature Ferromagnetic Ni-doped TiO
2
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
5227
Abstract/Metrics
3132
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
5082
Abstract/Metrics
2566
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
4714
Abstract/Metrics
2397
PDF(294KB)
Effects of Triton X-100 on Properties of Hemoglobin and Controlled Release of Drug in Hemoglobin/Ribavirin/H
2
O 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
5055
Abstract/Metrics
2265
PDF(602KB)
Kinetic Behavior of Visible Light Photocatalytic Oxidation of Propylene for N-Doped Nano-TiO
2
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
5525
Abstract/Metrics
2885
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
5441
Abstract/Metrics
2628
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
5139
Abstract/Metrics
2755
PDF(2214KB)
Theoretical Calculation on the C
6
H
5
—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
4915
Abstract/Metrics
3043
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
5059
Abstract/Metrics
2335
PDF(257KB)
Electrochemical Behavior of Aluminium Electrode in LiNO
3
-KNO
3
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
4852
Abstract/Metrics
2502
PDF(471KB)
Structural and Spectroscopic Properties of NaP
4
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
5966
Abstract/Metrics
2371
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
4549
Abstract/Metrics
2307
PDF(349KB)
Synthesis of Mesoporous SnO
2
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
6649
Abstract/Metrics
3192
PDF(652KB)
Bond Characters and Thermodynamic Stabilities of LiAlH
4
and Li
3
AlH
6
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
5565
Abstract/Metrics
2861
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
7570
Abstract/Metrics
3007
PDF(210KB)
Note
Dielectric and Luminescent Properties of Rare Earth-Doped Ba
0.6
Sr
0.4
TiO
3
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
5225
Abstract/Metrics
3240
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
4862
Abstract/Metrics
2377
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
5903
Abstract/Metrics
3662
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
5492
Abstract/Metrics
2380
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
5797
Abstract/Metrics
2765
PDF(233KB)
Insertion Reactions of the Germylenoid H
2
C=GeLiCl with RH(R=F, OH, NH
2
)
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
4837
Abstract/Metrics
2491
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
6039
Abstract/Metrics
3241
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
5734
Abstract/Metrics
2627
PDF(448KB)