化学物理学报 2005年 18卷 5期

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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Molecular Dynamics Method for Simulating Diffusivities

Song Haihua, Yin Xiaoyong

2005, 18(5): 719-723. DOI: 10.1088/1674-0068/18/5/719-723

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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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