Articles

• First-Principles Study on the Cubic CaSiO3 (001) Surface

  Kun Yang, Li Yao, Xiao‐Zhen Wang, Zhuo Feng, Li Li

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  26099 1934 Pages:101-107

• TD-DFT Study on the pH Related and Site-Specific Quenching Mechanism of 6-Formylpterin

  Lei Liu & Dapeng Yang

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  25694 1971 Pages:108-116

• A New Excited-State Intramolecular Proton Transfer Mechanism for C2 Symmetry of 10-Hydroxybenzoquinoline

  Jinfeng Zhao, Peng Song & Fengcai Ma

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  26646 1956 Pages:117-130