Physics-Based Modeling of Chemical Hazards in a Regulatory Framework: Comparison with Quantitative Structure–Property Relationship (QSPR) Methods for Impact Sensitivities
A semiempirical model based on simple physical assumptions is rigorously compared to a combination of two recent state-of-the-art quantitative structure–property relationship (QSPR) methods for impact sensitivities of nitroaliphatic and nitramine compounds. For most datasets considered, it yields sl...
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| Published in: | Industrial & engineering chemistry research Vol. 55; no. 27; pp. 7569 - 7577 |
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| Main Author: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
American Chemical Society
13-07-2016
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| Online Access: | Get full text |
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