Statistical theory of spectra: statistical moments as descriptors in the theory of molecular similarity

被引:0
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作者
D. Bielińska-Wąż
P. Wąż
S. C. Basak
机构
[1] Instytut Fizyki,
[2] Uniwersytet Mikołaja Kopernika,undefined
[3] Grudziądzka 5,undefined
[4] Centrum Astronomii,undefined
[5] Uniwersytet Mikołaja Kopernika,undefined
[6] Gagarina 11,undefined
[7] Natural Resources Research Institute,undefined
关键词
29.85.+c Computer data analysis; 07.05.Kf Data analysis: algorithms and implementation; data management; 33.20.-t Molecular spectra; 33.70.-w Intensities and shapes of molecular spectral lines and bands;
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学科分类号
摘要
Statistical moments of the intensity distributions are used as molecular descriptors. They are used as a basis for defining similarity distances between two model spectra. Parameters which carry the information derived from the comparison of shapes of the spectra and are related to the number of properties taken into account, are defined.
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页码:333 / 338
页数:5
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