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  • Breathing New Life into Classical Force Fields

    Xiwen Sun, Xueguang Shao, Wensheng Cai, Haohao Fu
    2025-11-03
    1685 323 Pages:331-342
    toc
  • Spin Polarization Properties of Benzene Molecule Adsorbed at Fe(100) Surface: First Principles Calculations

    Linlin Cai, Yanli Tian, Xiaobo Yuan, Guichao Hu & Junfeng Ren
    2016-04-01
    24725 1855 Pages:120-129
  • Underestimation of Charge-Transfer Emission Energy Calculated by State-Specific Polarization Continuum Model

    Jian Luo & Songqiu Yang
    2016-04-01
    24142 1935 Pages:73-77
  • The Stereodynamics Study of the Reaction S+H2 (v = 0-3, j = 0, 2, 4, 6) $\rightarrow$ SH+H

    Guang-Ling Shan, Mei-Shan Wang & Chuan-Lu Yang
    2013-01-01
    28556 1900 Pages:307-314
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