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    Combined Quantum Mechanism and Molecular Mechanism Method
    Wei Kai, Liu Lei, Li Xiaosong, Guo Qingxiang
    2005, 18(5): 641-650. DOI: 10.1088/1674-0068/18/5/641-650
    Abstract PDF
    Investigating the Photobleaching Property of Single DNA-YOYO-1 Complex by Molecular Combing Method
    Liu Yufeng, Wang Pengye, Dou Shuoxing, Xie Ping, Liu Yuying, Liu Quanhui
    2005, 18(5): 651-653. DOI: 10.1088/1674-0068/18/5/651-653
    Abstract PDF
    Synthesis, Characterization and Photovoltaic Effect of Porphyrin-Fullerene Compounds MP-C60
    Yang Sengen, Fan Suhua, Liu Jianyong, Wu Zhenyi, Tian Ling, Lin Yongsheng, Zhan Mengxiong
    2005, 18(5): 654-656. DOI: 10.1088/1674-0068/18/5/654-656
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    The [1+1] Photo-depletion and Photo-fragment Excitation Spectra of CS2+ via B2Σu +←X2Πg,3/2 Transitions
    Zhuang Xiujuan, Zhang Limin, Wang Jinting, Ma Yuchao, Wang Zhong, Yu Shuqin
    2005, 18(5): 657-659. DOI: 10.1088/1674-0068/18/5/657-659
    Abstract PDF
    Cavity Enhanced Absorption Spectroscopy Based on a Tunable DFB Diode Laser
    Pei Shixin, Gao Xiaoming, Cui Fenping, Huang Wei, Yang Yong, Shao Jie, Huang Teng, Zhao Weixiong, Zhang Weijun
    2005, 18(5): 660-664. DOI: 10.1088/1674-0068/18/5/660-664
    Abstract PDF
    Electron Momentum Spectroscopy Investigation on the 2b and 3a Orbitals of Cyclohexene
    Ren Xueguang, Zhang Shufeng, Su Guolin, Ning Chuangang, Zhou Hui, Li Bin, Huang Feng, Li Guiqin, Deng Jingkang
    2005, 18(5): 665-669. DOI: 10.1088/1674-0068/18/5/665-669
    Abstract PDF
    Emission Spectrum of SO (A″3Σ+) Generated in the Reaction of Ar (3P0,2) with SO2
    Wang Hongmei, Tang Xiaoshuan, Han Haiyan, Li Jianquan, Zhou Shikang, Zhang Weijun, Chu Yannan
    2005, 18(5): 670-674. DOI: 10.1088/1674-0068/18/5/670-674
    Abstract PDF
    Modified DVR3D for Calculation of Vibrational Spectra
    Zhao Meiyu, Han Keli, He Guozhong
    2005, 18(5): 675-678. DOI: 10.1088/1674-0068/18/5/675-678
    Abstract PDF
    New Theoretical Approach for Calculation of Potential of Mean Force
    Zhou Shiqi
    2005, 18(5): 679-688. DOI: 10.1088/1674-0068/18/5/679-688
    Abstract PDF
    Statistical Theory of Stable and Meta-stable Transition for Crystallization and Fusion of Homopolymers Ⅵ. Statistical Dynamics of Polymeric Crystallization by Molecular Segregation-Dependence of Crystal Growth Rate on the Grown Mechanism and Concentratio
    Song Mingshi, Xu Qiang, Hu Guixian, Wang Haiqiao, Wu Sizhu, Li Xiaoyu
    2005, 18(5): 689-694. DOI: 10.1088/1674-0068/18/5/689-694
    Abstract PDF
    Difference Between Stokes and Anti-Stokes Raman Shiftsand Time-reversal Symmetry
    Li Zunyun, Chen Dongming, He Tianjing, Liu Fanchen
    2005, 18(5): 695-701. DOI: 10.1088/1674-0068/18/5/695-701
    Abstract PDF
    Influence of the Linear and Periodic Perturbation on Dynamical Behavior in BZ Reaction
    Lü Ling, Liu Yan, Li Yi, Qiu Dongchao, Cao Haijing
    2005, 18(5): 702-706. DOI: 10.1088/1674-0068/18/5/702-706
    Abstract PDF
    Evaluation of Rate Constants in the Reactions of Hydroxyl Radical with Alkanes
    Cao Chenzhong, Liu Li
    2005, 18(5): 707-714. DOI: 10.1088/1674-0068/18/5/707-714
    Abstract PDF
    Jahn-Teller Distortion and Electronic Spectra of C80n (D2,Ih)
    Wu Shi, Teng Qiwen
    2005, 18(5): 715-718. DOI: 10.1088/1674-0068/18/5/715-718
    Abstract PDF
    Molecular Dynamics Method for Simulating Diffusivities
    Song Haihua, Yin Xiaoyong
    2005, 18(5): 719-723. DOI: 10.1088/1674-0068/18/5/719-723
    Abstract PDF
    Potentional Energy Function and Vertical Ionization Potential of Se2x（x=0,-1，+1,+2）
    Liu Xinping, Li Guangda, Ran Ming
    2005, 18(5): 724-728. DOI: 10.1088/1674-0068/18/5/724-728
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    Theoretical Study on the Structures and Stability of HFSiS System
    Liu Ying, Pei Kemei, Li Haiyang
    2005, 18(5): 729-734. DOI: 10.1088/1674-0068/18/5/729-734
    Abstract PDF
    Pseudopotential Plane-wave Study of the Uranium Metals and Uranium Compound
    Zhang Yongbin, Meng Daqiao, Zhu Zhenghe, Ma Meizhong
    2005, 18(5): 735-739. DOI: 10.1088/1674-0068/18/5/735-739
    Abstract PDF
    Theoretical Study on the Reaction Mechanism of SiH3+O(3P)
    Yang Yong, Zhang Weijun, Gao Xiaoming, Pei Shixing, Shao Jie, Huang Wei, Qu Jun, Liu Anling
    2005, 18(5): 740-744. DOI: 10.1088/1674-0068/18/5/740-744
    Abstract PDF
    Theoretical Study on 1H and 13C-NMR of 2,4,6-trimethoxyphenol-1-O-D-glucopyranoside
    Zhao Dongbao, Zhang Jinglai, Li Mingjing, Liu Xiuhua, Wang Hanqing
    2005, 18(5): 745-749. DOI: 10.1088/1674-0068/18/5/745-749
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    Theoretical Study on Fluoro Substitution Effect of the Transfer Reaction of Inner Hydrogen Atoms in Porphyrin
    Liao Yuting, Rao Huoyu, Kong Fanfeng, Luo Mingbiao
    2005, 18(5): 750-758. DOI: 10.1088/1674-0068/18/5/750-758
    Abstract PDF
    Theoretical Study on the Reaction Mechanism of CH3CH2+N(4S)
    Yang Yong, Zhang Weijun, Pei Shixing, Shao Jie, Huang Wei, Gao Xiaoming
    2005, 18(5): 759-764. DOI: 10.1088/1674-0068/18/5/759-764
    Abstract PDF
    Ab inito Study on the Isomerization Reaction of Nitroguanidine
    Wang Weina, Ren Fude, Bi Yanli, Wang Wenliang
    2005, 18(5): 765-770. DOI: 10.1088/1674-0068/18/5/765-770
    Abstract PDF
    Density Functional Study on Geometries and Stability of cis and trans isomers of Difluoroethylene
    Fan Xiaowei, Geng Zhenduo
    2005, 18(5): 771-775. DOI: 10.1088/1674-0068/18/5/771-775
    Abstract PDF
    Analytical Potential Energy Functions for the Electronic States X 1Σ+, A 1Σ+ and B 1Π of LiH Molecule
    Xie Andong, Shi Deheng, Zhu Zunlue, Ma Meizhong, Xu Guoliang, Zhu Zhenghe
    2005, 18(5): 776-780. DOI: 10.1088/1674-0068/18/5/776-780
    Abstract PDF
    Polyhedron and Bonded Pairs in Rapid Solidification Melten Compound AuCu3
    Zhang Tao, Guan Li, Zhang Xiaoru
    2005, 18(5): 781-785. DOI: 10.1088/1674-0068/18/5/781-785
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    Characterization of 5-Ethoxycarbonyl-4-substituted-6-methyl-3,4-dihydropyrimidin-2(1H)-ones Using EI-TOF Mass Spectrometry
    Salehi Hojatollah, Li Qianrong, Yin Hao, Guo Qingxiang, Xue Song
    2005, 18(5): 786-792. DOI: 10.1088/1674-0068/18/5/786-792
    Abstract PDF
    Core-level X-ray Photoelectron Emission Spectra of Sr14-xCaxCu24O41
    Pan Fusu, Zeng Yi, Xie Hui, Xiong Rui, Yu Zuxing, Tang Wufeng, Shi Jing, Mo Shaobo
    2005, 18(5): 793-797. DOI: 10.1088/1674-0068/18/5/793-797
    Abstract PDF
    Properties of the Intramolecular Excited Charge-Transfer States of Donor-Acceptor Phenothiazine Derivatives
    Liu Tao, Yuan Yanqiu, Wei Yonggang, Guo Qingxiang
    2005, 18(5): 798-806. DOI: 10.1088/1674-0068/18/5/798-806
    Abstract PDF
    SPV and PL Performances of TiO2 Nanoparticles Capped with DBS
    Wang Baiqi, Jing Liqiang, Qu Yichun, Sun Zhihua, Xue Lianpeng, Ji Shaojing, Fu Honggang
    2005, 18(5): 807-811. DOI: 10.1088/1674-0068/18/5/807-811
    Abstract PDF
    Structure and Properties of V2O5 Thin Films Prepared by Electrophoresis Deposition
    Jin Aiping, Chen Wen, Zhu Quanyao
    2005, 18(5): 812-816. DOI: 10.1088/1674-0068/18/5/812-816
    Abstract PDF
    Photochromism of the Star-like Liquid Crystals Containing Azobenzene
    Liu Jianqiang, Zhang Qizhen, Zhang Jingzhi
    2005, 18(5): 817-820. DOI: 10.1088/1674-0068/18/5/817-820
    Abstract PDF
    Structure， Photo Absorption and Catalyze Reaction Performance of Cu/ SnO2-TiO2 Catalyst
    Mei Changsong, Zhong Shunhe
    2005, 18(5): 821-826. DOI: 10.1088/1674-0068/18/5/821-826
    Abstract PDF
    Synthesis and Characterization of LaF3 Flakes Through a Solution-phase Approach
    Zhang Youjin, Hu Qixiu, Guan Hangmin, Hu Biao, Fang Zhiyong, Cheng Tao, Zhang Zude
    2005, 18(5): 827-831. DOI: 10.1088/1674-0068/18/5/827-831
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    Photochargeable Behaviors of Hydrogen Storage Alloy's Electrode Modified with Nano-TiO2 Photocatalyst
    Zhang Wenkui, Gan Yongping, Huang Hui, Zhang Bo, Wang Gaitian, Tu Jiangping
    2005, 18(5): 832-836. DOI: 10.1088/1674-0068/18/5/832-836
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    Fabrication and Electrochemical Characterization of PAMS-based Gel-polymer Lithium Batteries
    Zhou Yifeng, Xie Song, Chen Chunhua
    2005, 18(5): 837-841. DOI: 10.1088/1674-0068/18/5/837-841
    Abstract PDF
    Sound Absorption Mechanism in Gradient Polymer Solution
    Wang Yuansheng, Yang Xue, Zhu Jinhua
    2005, 18(5): 842-844. DOI: 10.1088/1674-0068/18/5/842-844
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    Supercooling and Hydration Properties of Polyalcohols Aqueous Solutions Used as Cryoprotectants
    Hu Tongji, Zhou Guoyan, Gao Cai, Xu Yi, Hua Zezhao
    2005, 18(5): 845-848. DOI: 10.1088/1674-0068/18/5/845-848
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