Search Results - "MATHIEU, Didier"

Pencil and Paper Estimation of Hansen Solubility Parameters by Mathieu, Didier

“…Simple procedures to estimate Hansen solubility parameter (HSP) components from structural formulas are investigated. The best results are obtained using a…”
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Significance of Theoretical Decomposition Enthalpies for Predicting Thermal Hazards by Mathieu, Didier

“…Much effort is currently put into the development of models for predicting decomposition enthalpies measured using differential scanning calorimetry (DSC). As…”
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Diagnostic efficacy of gadoxetic acid (Primovist)-enhanced MRI and spiral CT for a therapeutic strategy: comparison with intraoperative and histopathologic findings in focal liver lesions by Hammerstingl, Renate, Huppertz, Alexander, Breuer, Josy, Balzer, Thomas, Blakeborough, Anthony, Carter, Rick, Fusté, Lluis Castells, Heinz-Peer, Gertraud, Judmaier, Werner, Laniado, Michael, Manfredi, Riccardo M., Mathieu, Didier G., Müller, Dieter, Mortelè, Koenraad, Reimer, Peter, Reiser, Maximilian F., Robinson, Philip J., Shamsi, Kohkan, Strotzer, Michael, Taupitz, Matthias, Tombach, Bernd, Valeri, Gianluca, van Beers, Bernhard E., Vogl, Thomas J.

“…A multicenter study has been employed to evaluate the diagnostic efficacy of magnetic resonance imaging (MRI) using the new liver-specific contrast agent…”
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Sensitivity of Energetic Materials: Theoretical Relationships to Detonation Performance and Molecular Structure by Mathieu, Didier

“…It has been known for decades that high performances for explosives (as characterized by detonation velocity D, detonation pressure P, or Gurney energy E G)…”
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Liver haemangioma: common and uncommon findings and how to improve the differential diagnosis by Caseiro-Alves, Filipe, Brito, Jorge, Araujo, Antonio Eiras, Belo-Soares, Pedro, Rodrigues, Henrique, Cipriano, Augusta, Sousa, Daniel, Mathieu, Didier

“…Haemangiomas are common focal liver lesions, generally detected in the work-up of asymptomatic patients. From the pathological point of view, they can be…”
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Improved detection of focal liver lesions at MR imaging: multicenter comparison of gadoxetic acid-enhanced MR images with intraoperative findings by Huppertz, Alexander, Balzer, Thomas, Blakeborough, Anthony, Breuer, Josy, Giovagnoni, Andrea, Heinz-Peer, Gertraud, Laniado, Michael, Manfredi, Riccardo M, Mathieu, Didier G, Mueller, Dieter, Reimer, Peter, Robinson, Philip J, Strotzer, Michael, Taupitz, Matthias, Vogl, Thomas J

“…To evaluate the safety and efficacy of gadoxetic acid disodium-enhanced magnetic resonance (MR) imaging for the detection of focal liver lesions, with results…”
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QSPR versus fragment-based methods to predict octanol-air partition coefficients: Revisiting a recent comparison of both approaches by Mathieu, Didier

“…The octanol-air partition coefficient (KOA) is useful to assess the fate of organic chemicals in the environment. Very recently, an interesting comparison of…”
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Atom Pair Contribution Method: Fast and General Procedure To Predict Molecular Formation Enthalpies by Mathieu, Didier

“…An atom pair contribution (APC) model aimed at predicting the gas-phase formation enthalpy (Δf H°) of molecules is reported. In contrast to bond contribution…”
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Molecular Energies Derived from Deep Learning: Application to the Prediction of Formation Enthalpies Up to High Energy Compounds by Mathieu, Didier

“…Total electronic energies and frequencies predicted using the deep learning models ANI‐1x and ANI‐1ccx are converted to gas‐phase formation enthalpies ΔfH0…”
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Accurate or Fast Prediction of Solid-State Formation Enthalpies Using Standard Sublimation Enthalpies Derived From Geometrical Fragments by Mathieu, Didier

“…In view of its success in predicting sublimation enthalpies of molecular crystals near triple point conditions [Ind. Eng. Chem. Res. 2012, 51, 2814], the…”
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Physics-Based Modeling of Chemical Hazards in a Regulatory Framework: Comparison with Quantitative Structure–Property Relationship (QSPR) Methods for Impact Sensitivities by Mathieu, Didier

“…A semiempirical model based on simple physical assumptions is rigorously compared to a combination of two recent state-of-the-art quantitative…”
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Erratum: Modeling Sensitivities of Energetic Materials using the Python Language and Libraries by Mathieu, Didier

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Modeling Sensitivities of Energetic Materials using the Python Language and Libraries by Mathieu, Didier

“…Assessing the value of new compounds as components of energetic materials requires the determination of a significant amount of data, including sensitivities…”
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Toward a Physically Based Quantitative Modeling of Impact Sensitivities by Mathieu, Didier

“…Among the subsequent steps leading from impact to explosive decomposition in nitro compounds, the ability of early exothermic reactions to trigger the…”
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Solubility of organic compounds in octanol: Improved predictions based on the geometrical fragment approach by Mathieu, Didier

“…Two new models are introduced to predict the solubility of chemicals in octanol (Soct), taking advantage of the extensive character of log(Soct) through a…”
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Predicting Impact Sensitivities of Nitro Compounds on the Basis of a Semi-empirical Rate Constant by Mathieu, Didier, Alaime, Thibaud

“…A physically motivated model is put forward to estimate impact sensitivity of nitro compounds on the basis of the relationship h 50 ∝ k pr –4 between drop…”
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Simple Alternative to Neural Networks for Predicting Sublimation Enthalpies from Fragment Contributions by Mathieu, Didier

“…Taking advantage of an extended data set of sublimation enthalpies recently used to develop an artificial neural network for the prediction of this property,…”
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Flash Points of Organosilicon Compounds: How Data for Alkanes Combined with Custom Additive Fragments Can Expedite the Development of Predictive Models by Mathieu, Didier

“…An especially simple approach to the evaluation of flash point (FP) from additive fragment contributions is outlined. Being based on a square root expression…”
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Power Law Expressions for Predicting Lower and Upper Flammability Limit Temperatures by Mathieu, Didier

“…By analogy with recent models for flash point, the lower and upper flammability limit temperatures of organic compounds are represented as power law…”
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General estimation method for lower flammability limits of organic compounds: The simpler the better by Maury, Mathilda, Mathieu, Didier, Jacquemin, Johan

“…Due to the lack of well-established procedures to estimate the lower flammability limit (LFL) of arbitrary fuel-air mixtures, we report therein a simple method…”
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