Articles

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

  Pei-Yuan Yan & Bing Yan

  109-119

  https://doi.org/10.4208/cicc.2016.v4.n4.1%20

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  25822 1919

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

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

  120-129

  https://doi.org/10.4208/cicc.2016.v4.n4.2%20

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  24721 1851

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

  Can Du, Xiao Zhou, Peng Song & Fengcai Ma

  130-142

  https://doi.org/10.4208/cicc.2016.v4.n4.3

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  35911 2183