List of works - Didier Mathieu

Ab initiosolid-state heats of formation of molecular salts from ion packing and crystal modelling: application to ammonium crystals

Atom Pair Contribution Method: Fast and General Procedure To Predict Molecular Formation Enthalpies

scientific article published on 22 December 2017

Calculation of the crystal densities of molecular salts and hydrates using additive volumes for charged groups

scientific article published on 25 July 2003

Formation Enthalpies Derived from Pairwise Interactions: A Step toward More Transferable Reactive Potentials for Organic Compounds

scientific article published on 23 March 2012

Formation Enthalpies of Ions: Routine Prediction Using Atom Equivalents

scientific article published on 01 July 2010

Improved evaluation of liquid densities using van der Waals molecular models

scientific article published on 01 August 2006

Improved model for the refractive index: application to potential components of ambient aerosol

scientific article published on 01 August 2018

Inductive modeling of physico-chemical properties: flash point of alkanes.

scientific article published on 24 March 2010

MATEO: a software package for the molecular design of energetic materials

scientific article published on 13 November 2009

Optimal partitioning of molecular properties into additive contributions: the case of crystal volumes

scientific article published on 16 March 2007

Pencil and Paper Estimation of Hansen Solubility Parameters

scientific article published on 11 December 2018

Predicting dielectric constants of pure liquids: fragment-based Kirkwood-Fröhlich model applicable over a wide range of polarity

scientific article published on 15 May 2019

QSPR versus fragment-based methods to predict octanol-air partition coefficients: Revisiting a recent comparison of both approaches

scientific article published on 16 December 2019

Solubility of organic compounds in octanol: Improved predictions based on the geometrical fragment approach

scientific article published on 10 May 2017

Split charge equilibration method with correct dissociation limits

scientific article published on 01 December 2007

Theoretical shock sensitivity index for explosives.

scientific article published on 9 February 2012

Toward a physically based quantitative modeling of impact sensitivities.

scientific article published on 4 March 2013

List of works by Didier Mathieu