Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
2003 Vol. 19,No. 08
Published: 15 August 2003
Heating Rate Induced Melting and Superheating of Pb
Liu Xin;Meng Chang-Gong;Liu Chang-Hou
Molecular dynamics simulations are employed to study heating rate induced superheating and melting behaviors of bulk Pb....
2003, 19 (08): 681-685.
Study of Displacement Adsorption of N
on Surface of Polycrystalline W via Threshold Energy of Electron-stimulated Desorption
Zhang Tong;Wu Qiang;Hu An;Mao Fu-Ming;Yang Xue-Qian
The threshold energies of electron-stimulated desorption of N2 and O2 from polycrystalline W in vacuum (1×10－3 Pa) at T=...
2003, 19 (08): 686-688.
The Influence of Porous Structure of Activated Carbons Used as Supercapacitor Electrode Materials on Its Properties
Zhuang Xin-Guo;Yang Yu-Sheng;Ji You-Ju;Yang Dong-Ping;Tang Zhi-Yuan
The phenolformaldehyde resin activated carbon without ‘ink bottle’ porous structure was first introduced to study the in...
2003, 19 (08): 689-694.
Applications of Genetic Algorithms on 2D-QSAR Analysis of Benzofuran and Benzothiophene Biphenyls as PTP1B Inhibitors
Pan Yong-Mei;Ji Ming-Juan
Quantitative structure-activity relationships (QSARs) for 43 benzofuran and benzothiophene biphenyls were studied. By us...
2003, 19 (08): 695-700.
The PbS Semiconductor Nanocrystallites Epitaxial Growth under Arachidic Acid Monolayer
Yao Su-Wei;Zhao Pei-Zhong;Ban Chun-Mei;Liu Heng-Quan
It was demonstrated by electron diffraction patterns that lead sulfide (PbS) semiconductor particles films were obtained...
2003, 19 (08): 701-704.
XRD Investigation on the Crystallization Behaviors of Electroless High-Phosphorous Ni-P Alloys
Niu Zhen-Jiang;Wu Ting-Hua;Li Ze-Lin
Crystallization behaviors of electroless Ni-P deposits with 12％(w) P were studied by differential thermal analysis (DTA)...
2003, 19 (08): 705-708.
Molecular Dynamics Simulations of the Heating and Melting Processes of Metal Cu
Zhang Tao;Zhang Xiao-Ru;Wu Ai-Ling;Guan Li;Xu Chang-Ye
A Series of simulations of the heating and melting processes of metal Cu have been carried out by means of the constant-...
2003, 19 (08): 709-713.
Studies on the Dispersion Structure of Co-precipitated CuO-ZrO2 Mixed Oxides
Yang Peng-Cheng;Cai Xiao-Hai;Xie You-Chang
Co-precipitated CuO-ZrO2 mixed oxides were characterized by XRD,EXAFS, XPS methods. For the samples calcined at 500 ℃, a...
2003, 19 (08): 714-717.
Kinetics and Mechanism of Hypophosphite Electrooxidation on a Nickel Electrode
Zeng Yue;Zheng Yang-Cun;Yi Jian-Long;Yu Shang-Ci;Yang Chun-Ming;Li Ze-Lin
Kinetics and mechanism of hypophosphite oxidation on a nickel electrode were studied by means of the electrochemical mas...
2003, 19 (08): 718-722.
Empirical Aqueous Solvation Model for Protein Based on Accessible Surface Areas
Hou Ting-Jun;Zhang Wei;Huang Qin;Qiao Xue-Bin;Xu Xiao-Jie
A simplified aqueous solvation model (SAWSA 2) for protein was developed. The model classified the atoms in protein into...
2003, 19 (08): 723-726.
Surface Complex Adsorption Wave of Cadmium Ion at Ultra-micro Disc-electrode Modified by Polyaniline
Zhao Kai-Yuan;Wang Yu-Qing
The ultra-micro disc-electrode is combined by adhering with 12-carbon fibers of 7 μm in diameter ,after that this electr...
2003, 19 (08): 727-732.
Preparation and Formation Mechanism of the (NH
Nanoparticles by Solid State Reaction at Room Temperature
Zhou Li-Qun;Liu Shi-Zhong;Yu Guo-Feng;Sun Ju-Tang
(NH4)3PMo6W6O40 nanoparticles were synthesized by the solid state reaction of H3PMo6W6O40•23H2O with (NH4)2C2O4...
2003, 19 (08): 733-736.
A New Route to Fabricate Highly Ordered Three-dimensional Macroporous Al
Wu Quan-Zhou;Shen Yong;Li Yu-Guang
Using low-cost Al(NO3)3•9H2O as raw material and citric acid as chelator, highly ordered three-dimensional macropo...
2003, 19 (08): 737-741.
Self-optimizing Surplus Function Quantum Monte Carlo Approach
This paper proposes a novel surplus function quantum Monte Carlo algorithm, which is a self-optimizing and self-improvin...
2003, 19 (08): 742-746.
Influence of Divalent Metal Ions on the Aggregation Properties of EYPC
Yu Ke-Bing;Yang Zhan-Lan;Zhang Li;Wang Fan;Weng Shi-Fu;Wu Jin-Guang
It is well known that phosphatidylcholine (PC) vesicles are predominant carriers of cholesterol in human bile. Although ...
2003, 19 (08): 747-750.
Ab initio Investigation on the Potential Energy Surface of [He
Li Wei;Qu Jun-Yan;Zhao Xin-Sheng
By scanning some special configurations on the ground state potential energy surface of [He3H]＋ molecule with the CCSD(T...
2003, 19 (08): 751-756.
A New Method to Select the Near-native Conformations from the Docked Structures
Yu Yong-Hui;Li Chun-Hua;Lu Ben-Zhuo;Chen Wei-Zu;Wang Cun-Xin
A scoring function that contains the electrostatic, desolvation and van der Waals energy was used to discriminate the ne...
2003, 19 (08): 757-761.
Complex Kinetics of the Chlorite-Thiosulfate in an Unbuffered Reaction System
Wang Shun;Gao Qing-Yu;Wang Xin-Hong;Lin Juan-Juan;Lai Shun-An;Mo Yan-Xue
The complex kinetics of ClO2―-S2O32－ nonlinear reaction system in an unbuffered solution has been investigated in a CSTR...
2003, 19 (08): 762-765.
Rheological Behavior of Two Kinds of Quaternary Ammonium Gemini Surfactants in Aqueous Solution
Jiang Rong;Zhao Jian-Xi
Different flow behaviors influenced by shear rate were observed in two concentration regions (3～9 mmol•kg－1 and 10...
2003, 19 (08): 766-769.
Chemical Reaction between LiF and Al with or without the Presence of Alq
Zhang Han-Jie;Bao Shi-Ning;He Pi-Mo;Wang Sui-Dong;Fung Ming-Kai;Lee Zheng-Sheng;Lee Shu-Tang
The interaction between LiF and Al has been studied by X-ray photoemission spectroscopy (XPS) and high-resolution electr...
2003, 19 (08): 770-773.
The Constitution,Monodispersity and Stability of the Soapless Macromolecule Particles
Luo Shi-Zhong;Zhang Feng-Mei;Tang Ye-Cang;Fu Zhong;Sun Yi-Min
The soapless polystyrene (PSt) latex particles were prepared by using microwave irradiation in a closed reactor under co...
2003, 19 (08): 774-778.
Vesicles and Other Self-organized Molecular Assemblies Formation in Nonaqueous Solvents
Huang Jian-Bin;Han Feng;Wu Tao
Formation of vesicles, micelles and other self-organized molecular assemblies in nonaqueous and mixed solvents was revie...
2003, 19 (08): 779-784.