Articles

• Accurate Vibration-Rotation Spectra of X1Σ+ with A1Π in BH Molecule with Explicitly Correlated Method

  Pei-Yuan Yan & Bing Yan

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  25948 1963 Pages:109-119

• Spin Polarization Properties of Benzene Molecule Adsorbed at Fe(100) Surface: First Principles Calculations

  Linlin Cai, Yanli Tian, Xiaobo Yuan, Guichao Hu & Junfeng Ren

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  24836 1887 Pages:120-129

• Excited-State Proton Transfer and Charge Transfer Study in 6-Amino-2-(2'-Methoxyphenyl)Benzoxazole

  Can Du, Xiao Zhou, Peng Song & Fengcai Ma

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  36018 2214 Pages:130-142