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Mixture Descriptors toward the Development of Quantitative Structure–Property Relationship Models for the Flash Points of Organic Mixtures

Industrial & engineering chemistry research, 2015-07, Vol.54 (25), p.6596-6604

2015

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Impact of the chemical structure on amphiphilic properties of sugar-based surfactants: A literature overview

Advances in colloid and interface science, 2019-08, Vol.270, p.87-100

2019

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The ammonium nitrate and its mechanism of decomposition in the gas phase: a theoretical study and a DFT benchmark

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (26), p.10849-10858

2013

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Theoretical and Experimental Study of the Reaction between Ammonium Nitrate and Sodium Salts

Industrial & engineering chemistry research, 2016-11, Vol.55 (47), p.12183-12190

2016

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On the hazard investigation of polymerizing substances through experimental methods and theoretical chemistry

Chemical engineering transactions, 2022, Vol.90

2022

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Toward the Mechanistic Understanding of the Additives’ Role on Ammonium Nitrate Decomposition: Calcium Carbonate and Calcium Sulfate as Case Studies

ACS omega, 2020-03, Vol.5 (10), p.5034-5040

2020

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Investigation of ammonium nitrate contaminants based on computational chemistry approach

Chemical engineering transactions, 2019-09, Vol.77

2019

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Assessing the flammability of liquid mixtures by predictive approach as a complement to experimental measurements

Chemical engineering transactions, 2019-09, Vol.77

2019

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QSPR Model for Regulatory Purpose: from Development to Integration into the QSAR Toolbox

Chemical engineering transactions, 2016, Vol.48

2016

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Chemoinformatics for the Safety of Energetic and Reactive Materials at Ineris

Molecular informatics, 2022-01, Vol.41 (1), p.e2000190-n/a

2022

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New QSPR Models to Predict the Flammability of Binary Liquid Mixtures

Molecular informatics, 2019-08, Vol.38 (8-9), p.e1800122-n/a

2019

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Proposal of a new risk assessment method for the handling of powders and nanomaterials

Industrial Health, 2015, Vol.53(1), pp.56-68

2015

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Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools

Molecular informatics, 2011-06, Vol.30 (6-7), p.623-634

2011

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Safety Issues Related to Stationary Electrochemical Energy Storage on Industrial Sites

Chemical engineering transactions, 2016, Vol.48

2016

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Molecular Modeling as a Complementary Approach of Experimental Evaluation of Incompatibilities of Ammonium Nitrate

Chemical engineering transactions, 2016, Vol.48

2016

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Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationships

Journal of colloid and interface science, 2018-04, Vol.516, p.162-171

2018

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How to use QSPR-type approaches to predict properties in the context of Green Chemistry

Biofuels, bioproducts and biorefining, 2016-11, Vol.10 (6), p.738-752

2016

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Development of simple QSPR models for the impact sensitivity of nitramines

Journal of loss prevention in the process industries, 2014-07, Vol.30, p.1-8

2014

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First QSPR models to predict the thermal stability of potential self-reactive substances

Process safety and environmental protection, 2022-07, Vol.163, p.191-199

2022

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A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

Chemical reviews, 2015-12, Vol.115 (24), p.13093-13164

2015

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New QSPR Models to Predict the Critical Micelle Concentration of Sugar-Based Surfactants

Industrial & engineering chemistry research, 2016-11, Vol.55 (45), p.11716-11726

2016

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Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds

Journal of hazardous materials, 2012-10, Vol.235-236, p.169-177

2012

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Flash point of binary mixtures of chlorinated hydrocarbons with toluene and their predictability with existing mixing rule

Process safety progress, 2020-09, Vol.39 (3), p.n/a

2020

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Combining mixing rules with QSPR models for pure chemicals to predict the flash points of binary organic liquid mixtures

Fire safety journal, 2015-05, Vol.74, p.61-70

2015

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Conformations of n-alkyl-α/β-d-glucopyranoside surfactants: Impact on molecular properties

Computational and theoretical chemistry, 2017-02, Vol.1101, p.20-29

2017

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Mixture Descriptors toward the Development of Quantitative Structure–Property Relationship Models for the Flash Points of Organic Mixtures

Impact of the chemical structure on amphiphilic properties of sugar-based surfactants: A literature overview

The ammonium nitrate and its mechanism of decomposition in the gas phase: a theoretical study and a DFT benchmark

Theoretical and Experimental Study of the Reaction between Ammonium Nitrate and Sodium Salts

On the hazard investigation of polymerizing substances through experimental methods and theoretical chemistry

Toward the Mechanistic Understanding of the Additives’ Role on Ammonium Nitrate Decomposition: Calcium Carbonate and Calcium Sulfate as Case Studies

Investigation of ammonium nitrate contaminants based on computational chemistry approach

Assessing the flammability of liquid mixtures by predictive approach as a complement to experimental measurements

QSPR Model for Regulatory Purpose: from Development to Integration into the QSAR Toolbox

Chemoinformatics for the Safety of Energetic and Reactive Materials at Ineris

New QSPR Models to Predict the Flammability of Binary Liquid Mixtures

Proposal of a new risk assessment method for the handling of powders and nanomaterials

Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools

Safety Issues Related to Stationary Electrochemical Energy Storage on Industrial Sites

Molecular Modeling as a Complementary Approach of Experimental Evaluation of Incompatibilities of Ammonium Nitrate

Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationships

How to use QSPR-type approaches to predict properties in the context of Green Chemistry

Development of simple QSPR models for the impact sensitivity of nitramines

First QSPR models to predict the thermal stability of potential self-reactive substances

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

New QSPR Models to Predict the Critical Micelle Concentration of Sugar-Based Surfactants

Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds

Flash point of binary mixtures of chlorinated hydrocarbons with toluene and their predictability with existing mixing rule

Combining mixing rules with QSPR models for pure chemicals to predict the flash points of binary organic liquid mixtures

Conformations of n-alkyl-α/β-d-glucopyranoside surfactants: Impact on molecular properties

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