Global and local quantitative structure-property relationship models to predict the impact sensitivity of nitro compounds

Process Safety Progress

Volumn 31, Issue 3, 2012, Pages 291-303

  Fayet, Guillaume ^a   Rotureau, Patricia ^a   Prana, Vinca ^a,b   Adamo, Carlo ^b  

^a INSTITUT NATIONAL DE L ENVIRONNEMENT INDUSTRIEL ET DES RISQUES INERIS   (France)

^b PSL RESEARCH UNIVERSITY   (France)

Author keywords

Applicability domain; Density functional theory; Impact sensitivity; Nitro compounds; Quantitative structure property relationships; Validation

Indexed keywords

APPLICABILITY DOMAIN; IMPACT SENSITIVITIES; NITRO COMPOUNDS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; VALIDATION;

DECOMPOSITION; DENSITY FUNCTIONAL THEORY; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY;

FORECASTING;

EID: 84865177596     PISSN: 10668527     EISSN: 15475913     Source Type: Journal    
DOI: 10.1002/prs.11499     Document Type: Article

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