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• W2061662114 abstract "A quantitative structure–property relationship (QSPR) based on the AM1 semiempirical quantum mechanical method was derived using the program, CODESSA, to describe published drop height impact sensitivities for 227 nitroorganic compounds. An eight-descriptor correlation equation having R2 = 0.8141 was obtained through a robust least median squares regression. The resulting model is the most comprehensive and systematic quantum mechanically derived QSPR for energetic materials of those that have been published. The predictive capability of the model is also presented and discussed." @default.
• W2061662114 created "2016-06-24" @default.
• W2061662114 creator A5020320369 @default.
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• W2061662114 date "2008-10-01" @default.
• W2061662114 modified "2023-09-30" @default.
• W2061662114 title "Development of quantitative structure–property relationships for predictive modeling and design of energetic materials" @default.
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• W2061662114 doi "https://doi.org/10.1016/j.jmgm.2008.06.003" @default.
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