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    Melting Behaviour of Shell-symmetric Aluminum Nanoparticles: Molecular Dynamics Simulation
    Kun-jie Li, Shi-ping Huang, Wei-xia Tu, Ji-qin Zhu, Hui Liu
    2009, 22(3): 215-222. DOI: 10.1088/1674-0068/22/03/215-222
    Abstract PDF
    Competition Between Two Excitation-dissociation Channels for Molecular Ions
    Li-kun Lai, Li-min Zhang, Mao-ping Yang, Dan-na Zhou
    2009, 22(3): 223-227. DOI: 10.1088/1674-0068/22/03/223-227
    Abstract PDF
    Selective Alignment of D2 Induced by Two Ultrashort Laser Pulses
    Zeng-qiang Yang, Zhi-rong Guo, Gui-xian Ge
    2009, 22(3): 228-234. DOI: 10.1088/1674-0068/22/03/228-234
    Abstract PDF
    Theoretical Study of the C-Cl Bond Dissociation Enthalpy and Electronic Structure of Substituted Chlorobenzene Compounds
    Rui-zhou Zhang, Xiao-hong Lia, Xian-zhou Zhang
    2009, 22(3): 235-240. DOI: 10.1088/1674-0068/22/03/235-240
    Abstract PDF
    Influences of Li Intercalation on the Electronic Structures of O2p and V3d Orbitals in α-V2O5
    Zhi-yang Li, Xiu-zhu Lin, Qi-hui Wu
    2009, 22(3): 241-245. DOI: 10.1088/1674-0068/22/03/241-245
    Abstract PDF
    Theoretical Calculations of Transition Probabilities and Oscillator Strengths for Sc(III) and Y(III)
    Tian-yi Zhang, Neng-wu Zheng
    2009, 22(3): 246-254. DOI: 10.1088/1674-0068/22/03/246-254
    Abstract PDF
    Repeat Sequences and Base Correlations in Human Y ChromosomePalindromes
    Neng-zhi Jin, Zi-xian Liu, Yan-jiao Qi, Wen-yuan Qiu
    2009, 22(3): 255-261. DOI: 10.1088/1674-0068/22/03/255-261
    Abstract PDF
    Analytical Dielectric Spectrum Formula Based on Representative Frequencies
    Bo Kong, Ke-xiang Fu, Min-hua Shan, Xiang-yuan Li
    2009, 22(3): 262-268. DOI: 10.1088/1674-0068/22/03/262-268
    Abstract PDF
    Visualization of Metal-to-Ligand and Ligand-to-Ligand Charge Transfer in Metal-Ligand Complexes
    Yong Ding, Jian-xiu Guo, Xiang-si Wang, Sha-sha Liu, Feng-cai Ma
    2009, 22(3): 269-274. DOI: 10.1088/1674-0068/22/03/269-274
    Abstract PDF
    X-ray and DFT Study of Glaucocalyxin A Compound with Cytotoxic Activity
    Fu-dong Wang, Tao Wang, An-an Wu, Lan Ding, Han-qing Wang
    2009, 22(3): 275-284. DOI: 10.1088/1674-0068/22/03/275-284
    Abstract PDF
    3D-QSAR Study of 7,8-Dialkyl-1,3-diaminopyrrolo-[3,2-f] Quinazolines with Anticancer Activity as DHFR Inhibitors
    Jin-can Chen, Lan-mei Chen, Si-yan Liao, Li Qian, Kang-cheng Zheng
    2009, 22(3): 285-289. DOI: 10.1088/1674-0068/22/03/285-289
    Abstract PDF
    Effect of Hydrogen Addition on Methane HCCI Engine Ignition Timing and Emissions Using a Multi-zone Model
    Zi-han Wang, Chun-mei Wang, Hua-xin Tang, Cheng-ji Zuo, Hong-ming Xu
    2009, 22(3): 290-296. DOI: 10.1088/1674-0068/22/03/290-296
    Abstract PDF
    C-S Activation of CS2 by Nb+ in Gas Phase
    Xiao-li Song, Li-guo Gao
    2009, 22(3): 297-302. DOI: 10.1088/1674-0068/22/03/297-302
    Abstract PDF
    Non-additivity of Methyl Group in the Single-electron Lithium Bond of H3C…… Li-H Complex
    Zhi-feng Li, Xiao-ning Shi, Yan-zhi Liu, Hui-an Tang, Jun-yan Zhang
    2009, 22(3): 303-309. DOI: 10.1088/1674-0068/22/03/303-309
    Abstract PDF
    Molecular Dynamics Simulations for Melting Temperatures of SrF2 and BaF2
    Xiao-yu Huang, Xin-lu Cheng, Chao-lei Fan, Qiong Chen, Xiao-li Yuan
    2009, 22(3): 310-314. DOI: 10.1088/1674-0068/22/03/310-314
    Abstract PDF
    The Initial Reactions of H3PO4 and NaH2PO4Supported on Silica: A Joint Experimental and Theoretical Study
    Zhi-qiang Zhang, Yi-xin Qu, Shui Wang, Ji-dong Wang
    2009, 22(3): 315-321. DOI: 10.1088/1674-0068/22/03/315-321
    Abstract PDF
    Superacid Catalyst SO42-/ZrO2-La2O3 Prepared by Ultrasonic Co-precipitation and Low Temperature Aging
    Tong-yun Chen, Xiang-feng Chua, Ke-liang Hu
    2009, 22(3): 322-326. DOI: 10.1088/1674-0068/22/03/322-326
    Abstract PDF
    Preparation of Manganese Oxide Hollow Spheres Using pH-responsive Microgels as Templates
    Wei Zhang, Zhi-cheng Zhang
    2009, 22(3): 327-332. DOI: 10.1088/1674-0068/22/03/327-332
    Abstract PDF
    Research on Raman-scattering and Fabrication of Multilayer Thin Film with Different Structures and Components Based on Pt/Ti/Si3N4/SiO2/Si Substrate
    Qiu-lin Tan, Wen-dong Zhang, Chen-yang Xue, Jun Liu, Jun-hong Li, Ji-jun Xiong
    2009, 22(3): 333-338. DOI: 10.1088/1674-0068/22/03/333-338
    Abstract PDF
    Chineseabstract
    2009, 22(3): 339-339. DOI: 10.1088/1674-0068/22/3/339-339
    Abstract PDF