在动量空间中观察二氧甲基甲烷的端基异构效应
Investigation into anomeric effect of dimethoxymethane
首次利用改进后的具有高分辨率的第三代电子动量谱仪，在动量空间中从轨道层次上研究二氧甲基甲烷分子G+G+构像的端基异构效应。通过比较DFT和单粒子格林函数ADC(3)方法在不同基组下的理论计算结果，说明了只有在基组中包含弥散函数才能正确地描述动量谱的实验数据，进而验证了端基异构效应的存在.
nomeric effect of G+G+ conformer of dimethoxymethane was firstly investigated in momentum space using the improved 3rd generation electron momentum spectrometer. A comparison of DFT calculations upon spherically averaged (e, 2e) electron momentum distributions with 1p-GF/ADC(3) ones shows that it is essential that inclusion of diffuse functions in employed various basis sets to correctly describe the experimental results for momentum profile and enables us to identify specific fingerprints of through-space orbital interactions associated with the anomeric effect.
刘昆、宁传刚、罗志弘、黄艳茹、邓景康、张书锋
物理学化学
电子动量谱学，单粒子格林函数ADC(3)，二氧甲基甲烷，端基异构效应
nomeric effect of G+G+ conformer of dimethoxymethane was firstly investigated in momentum space using the improved 3rd generation electron momentum spectrometer. A comparison of DFT calculations upon spherically averaged (e 2e) electron momentum distrib
刘昆,宁传刚,罗志弘,黄艳茹,邓景康,张书锋.在动量空间中观察二氧甲基甲烷的端基异构效应[EB/OL].(2008-05-14)[2025-08-16].http://www.paper.edu.cn/releasepaper/content/200805-390.点此复制
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