Patricia Rotureau

发表

Prediction of physico-chemical properties in the context of the French PREDIMOL project

Patricia Rotureau, Guillaume Fayet, Vinca Prana, 2012 .

Development of a new QSPR based tool to predict explosibility properties of chemical substances within the framework of REACH and GHS

Patricia Rotureau, Carlo Adamo, Guillaume Fayet, 2010 .

Prediction of the physico-chemical properties of nitroaromatic compounds using QSPR models

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2011 .

Qspr Model for Regulatory Purpose: from Development to Integration Into the Qsar Toolbox

Patricia Rotureau, Guillaume Fayet, 2016 .

Booming development of biofuels for transport: Is fire safety of concern?

Patricia Rotureau, Guy Marlair, Sylvain Brohez, 2009 .

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

Patricia Rotureau, Guillaume Fayet, P. Rotureau, 2016 .

Predicting explosibility properties of chemicals from quantitative structure‐property relationships

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2009 .

Prediction of impact sensivity of nitro energetic compounds using QSPR approaches

Patricia Rotureau, Guillaume Fayet, Vinca Prana, 2011 .

Chemoinformatics for the Safety of Energetic and Reactive Materials at Ineris

Patricia Rotureau, Guillaume Fayet, P. Rotureau, 2020, Molecular informatics.

How to Use QSPR Models to Help the Design and the Safety of Energetic Materials

Patricia Rotureau, Guillaume Fayet, P. Rotureau, 2017 .

Prediction of Physico-chemical Properties for Reach Based on Qspr Models

Patricia Rotureau, Guillaume Fayet, Vinca Prana, 2013 .

Oxidation mechanism of diethyl ether: a complex process for a simple molecule.

Patricia Rotureau, Carlo Adamo, Orlando Crescenzi, 2011, Physical chemistry chemical physics : PCCP.

Study of Incompatibilities of Ammonium Nitrate and Its Mechanism of Decomposition by Theoretical Approach

Patricia Rotureau, Carlo Adamo, P. Rotureau, 2013 .

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

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2013, Physical chemistry chemical physics : PCCP.

Theoretical study of the decomposition reactions in substituted nitrobenzenes.

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2008, The journal of physical chemistry. A.

Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools

Patricia Rotureau, Carlo Adamo, Laurent Joubert, 2011, Molecular informatics.

Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes.

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2010, Journal of molecular graphics & modelling.

Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds.

Patricia Rotureau, Guillaume Fayet, Vinca Prana, 2012, Journal of hazardous materials.