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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2004 Vol. 20,No. 12
Published: 15 December 2004
Current column
ARTICLE
Note
Index
ARTICLE
Modification of Nanoporous Silica Film by Trimethylchlorosilane
Wang Juan; Zhang Chang-Rui; Feng Jian
Crack-free homogeneous nanoporous silica films on silicon wafers have been synthesized via supercritical drying of wet g...
2004, 20 (12): 1399-1403.
DOI: 10.3866/PKU.WHXB20041201
6615
Abstract/Metrics
3916
PDF(1812KB)
Quantum Chemical Investigation of Solvent Effects on Hydroformylation Reaction
LUO Xiao-Ling;TANG Dian-Yong;LI Ming
A theoretical investigation of solvent effects on hydroformylation has been carried out at the B3LYP/6-31G (d, p) level ...
2004, 20 (12): 1404-1410.
DOI: 10.3866/PKU.WHXB20041202
5975
Abstract/Metrics
3155
PDF(1512KB)
Electrodeposition, Structure and Properties of an Amorphous Ni-W-B/ZrO
2
Composite Coating
Yang Fang-Zu;Ma Zhao-Hai;Huang Ling;Xu Shu-Kai;Zhou Shao-Min
Ni-W-B/ZrO2 composite coating was electrodeposited from the Ni-W-B electrolyte solution containing zirconia particles. T...
2004, 20 (12): 1411-1416.
DOI: 10.3866/PKU.WHXB20041203
5596
Abstract/Metrics
3720
PDF(2121KB)
Quantum Chemistry Study on Cycloaddition Reaction of Germylene X
2
Ge (X=H, CH
3
, F, Cl, Br) and Ethylene
Geng Zhi-Yuan;Wang Yong-Cheng;Wang Han-Qing
The potential energy surfaces for the cycloaddition reactions of singlet germylene X2Ge(X=H, CH3, F, Cl, Br) and ethylen...
2004, 20 (12): 1417-1422.
DOI: 10.3866/PKU.WHXB20041204
6813
Abstract/Metrics
3457
PDF(1554KB)
Comparison between C54 and C49 Phase of TiSi
2
by ab initio Calculaltions
Wang Tao;Dai Yong-Bing;Ouyang Si-Ke;Shen He-Sheng;Wang Qing-Kang;Wu Jian-Sheng
The ab initio plane-wave ultrasoft pseudopotential method based on generalized gradient approximation (GGA) has been uti...
2004, 20 (12): 1423-1427.
DOI: 10.3866/PKU.WHXB20041205
7010
Abstract/Metrics
3871
PDF(1600KB)
Electronic Absorption Spectra of Linear Cluster SC
2n
S
2-
(n=1~12)
Zhang Jing-Lai;Wang Lian-Bin;Wu Wen-Peng; Cao Ze-Xing
Using density functional theory(DFT),the geometries and the vibrational frequencies of linear cluster SC2nS2-(n=1~12) ha...
2004, 20 (12): 1428-1433.
DOI: 10.3866/PKU.WHXB20041206
6009
Abstract/Metrics
2946
PDF(1589KB)
Synergistic Effect of Eu
3+
and Si
4+
Co-doping on Photocatalytic Activity of Titanium Dioxide
Li Yue-Xiang; Wang Tian-Hui; Peng Shao-Qin1 Lü Gong-Xuan; Li Shu-Ben
Eu/Ti/Si composite photocatalysts were prepared by sol-gel-soaking process and characterized by XRD, FT-IR and EPR. It h...
2004, 20 (12): 1434-1439.
DOI: 10.3866/PKU.WHXB20041207
6338
Abstract/Metrics
3661
PDF(2028KB)
Electrochemical Performance of a Novel Cathode Material Phenyl Polysulfide for Lithium Batteries
Wang Wei-Kun; Wang An-Bang; Cao Gao-Ping; Yang Yu-Sheng
A novel orgnaosulfur cathode material named phenyl polysulfide(PPS) for lithium batteries was studied. The highly crossl...
2004, 20 (12): 1440-1444.
DOI: 10.3866/PKU.WHXB20041208
6092
Abstract/Metrics
3674
PDF(2201KB)
Adsorption and Vibration of O on Pt(s)-[n(111)×(100)] Surfaces
Diao Zhao-Yu; Dong Chen-Chu; Wang Ze-Xin; Han Ling-Li; Hao Ce
Oxygen adsorbed on Pt stepped surfaces has been studied by means of the 5-parameter morse potential(5-MP) of interaction...
2004, 20 (12): 1445-1450.
DOI: 10.3866/PKU.WHXB20041209
5493
Abstract/Metrics
3126
PDF(1635KB)
Note
Surface Properties of Sodium Branched-alkylbenzenesulfonates
Wang Lin; Zhang Lu; Chu Yan-Ping; Zhao Sui; Yu Jia-Yong
The relationship of surface property and hydrophobic branched-chain structure was studied using four branched-alkylbenze...
2004, 20 (12): 1451-1454.
DOI: 10.3866/PKU.WHXB20041210
7002
Abstract/Metrics
3581
PDF(1344KB)
Density Functional Theory Calculations on 2-thioxanthine Tautomers
Li Bao-Zong
Molecular structures of fourteen 2-thioxanthine tautomers were calculated by the B3LYP /6-311G** method, both in the gas...
2004, 20 (12): 1455-1458.
DOI: 10.3866/PKU.WHXB20041211
7090
Abstract/Metrics
3404
PDF(1248KB)
Catalytic Combustion of Soot over Cu-Mg/Al Composite Oxides
Yu Jun-Jie; Jiang Zheng; Kang Shou-Fang; Hao Zheng-Ping
Keeping the atomic ratio of nM2+/nM3+ at 3, series of CuMgAl-O oxides (wCuO=0%, 5%, 10%, 15%, 20%, 30%, 40%,denoted as (...
2004, 20 (12): 1459-1464.
DOI: 10.3866/PKU.WHXB20041212
5490
Abstract/Metrics
4059
PDF(1992KB)
TGA-FTIR Study of 1-n-butyl-3-methylimidazolium Bromide Ionic Liquid
Li Xue-Hui; Zhang Lei; Li Qiong; Geng Wei-Guo; Ye Yu-Jia; Wang Le-Fu
Under the atmosphere of air and nitrogen, the thermal properties of 1-n-butyl-3-methylimidazolium bromide ionic liquid w...
2004, 20 (12): 1465-1468.
DOI: 10.3866/PKU.WHXB20041213
7288
Abstract/Metrics
3583
PDF(1422KB)
The Standard Molar Enthalpy of Formation of Room Temperature Ionic Liquid EMIES
Zhang Zhi-Heng; Guan Wei; Yang Jia-Zhen; Tan Zhi-Cheng; Sun Li-Xian
Using RBC-Ⅱ type oxygen-bomb combustion calorimeter, the molar combustion enthalpies of room temperature ionic liquid, 1...
2004, 20 (12): 1469-1471.
DOI: 10.3866/PKU.WHXB20041214
7770
Abstract/Metrics
3609
PDF(1337KB)
Electrochemical Dissolution of Tin in Ethylene Glycol Monomethyl Ether and Direct Hydrolysis of the Electrolyte for Preparation of Nano-sized SnO2
Zhou Xing-Fu; Zhao Jun-Feng; He Hui; Chu Dao-Bao
Metallic tin was directly dissolved in ethylene glycol monomethyl ether and Sn(OCH2CH2OCH3)4 was obtained. The products ...
2004, 20 (12): 1472-1475.
DOI: 10.3866/PKU.WHXB20041215
6128
Abstract/Metrics
3297
PDF(1859KB)
A Theoretical Investigation of Conformation and Electronic Structure of Poly(m-phenylene) and Its Derivatives
Yang Bing; Zhang Hai-Quan; Xu Hai; Zheng Yan; Yu Jing-Sheng; Ma Yu-Guang; Shen Jia-Cong
Potential energy of poly(m-phenylene)(PMP, P1) and the related derivatives (P2,P3) as a function of torsion angles(f) we...
2004, 20 (12): 1476-1480.
DOI: 10.3866/PKU.WHXB20041216
5467
Abstract/Metrics
3466
PDF(1479KB)
Index
Classified Subject Index for Vol.20
2004, 20 (12): 1481-1501.
2874
Abstract/Metrics
3189
PDF(1472KB)
Author Index for Vol.20
2004, 20 (12): 1502-1510.
2479
Abstract/Metrics
2173
PDF(265KB)