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机译:表面增强拉曼光谱实验和密度泛函理论计算的低浓度溶液中钒 - 氧物种的系统检测及结构表征
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
City Univ Hong Kong Dept Mat Sci &
Engn Hong Kong Peoples R China;
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
Soochow Univ Coll Chem Chem Engn &
Mat Sci Suzhou Peoples R China;
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
Nanjing Univ Sch Chem &
Chem Engn Key Lab Mesoscop Chem MOE Jiangsu Prov Key Lab Na Jiangsu Prov Key Lab Vehicle Emiss Control 163 Xianlin Ave Nanjing 210023 Peoples R China;
Univ Glasgow James Watt Sch Engn Glasgow Lanark Scotland;
DFT calculation; pH value; SERS; structure; vanadium-oxygen species;
机译:拉曼光谱,红外光谱和表面增强拉曼光谱与10-异丙基-10H-吩噻嗪-5-氧化物的从头算和密度泛函理论计算的结合
机译:VIII(VIII)氧氟阳离子OSO2F3 +和F(CIS-OSO2F3)(2)(+)-的合成,F-19 NMR光谱和拉曼光谱表征,F(CIS-OSO2F3)(2)的X射线晶体结构(SB2F11-)-SB- +和密度函数理论计算
机译:表面增强的拉曼光谱和密度泛函理论计算Xanthene环中具有硫醇基团的理性设计的罗丹明
机译:来自拉曼光谱,密度官能理论计算和延长X射线吸收细结构光谱的砷(III)氧 - 羟化剂上的砷(III)氧 - 氢氧化物的证据
机译:使用拉曼光谱,密度泛函理论和势能分布计算,探讨4,5-二氮杂芴-9-一及其席夫碱衍生物在银和金纳米表面上的吸附行为。
机译:氟取代色氨酸的19F幻角自旋NMR光谱和密度泛函理论计算:化学位移张量精确测定的整合实验和理论
机译:使用电子旋转回波包络调制光谱,同位素标记和密度函数理论计算直接检测和表征亚硫酸盐氧化酶的低pH形式的亚硫酸盐氧化酶的氯化物
机译:研究化学贡献的起源和大小对表面增强拉曼光谱(sERs)增强机制的贡献:理论和实验。