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Molecular Informatics
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December 11, 2021
Molecular Energies Derived from Deep Learning: Application to the Prediction of Formation Enthalpies Up to High Energy Compounds
Didier Mathieu
Chemosphere
|
December 22, 2019
QSPR versus fragment-based methods to predict octanol-air partition coefficients: Revisiting a recent comparison of both approaches
Didier Mathieu
Journal of Hazardous Materials
|
December 8, 2009
MATEO: a software package for the molecular design of energetic materials
Didier Mathieu
Chemosphere
|
May 17, 2017
Solubility of organic compounds in octanol: Improved predictions based on the geometrical fragment approach
Didier Mathieu
Journal of Chemical Information and Modeling
|
December 23, 2017
Atom Pair Contribution Method: Fast and General Procedure To Predict Molecular Formation Enthalpies
Didier Mathieu
Journal of Chemical Theory and Computation
|
November 25, 2015
Formation Enthalpies Derived from Pairwise Interactions: A Step toward More Transferable Reactive Potentials for Organic Compounds
Didier Mathieu
Physical Chemistry Chemical Physics : PCCP
|
May 2, 2025
Gurney and cylinder wall velocities of explosives: analytical estimates and thermochemical simulations
Didier Mathieu
The Journal of Physical Chemistry. A
|
February 16, 2013
Toward a physically based quantitative modeling of impact sensitivities
Didier Mathieu
The Journal of Chemical Physics
|
December 18, 2007
Split charge equilibration method with correct dissociation limits
Didier Mathieu
ACS Omega
|
August 29, 2019
Pencil and Paper Estimation of Hansen Solubility Parameters
Didier Mathieu
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
Molecular Informatics
|
December 11, 2021
Molecular Energies Derived from Deep Learning: Application to the Prediction of Formation Enthalpies Up to High Energy Compounds
Didier Mathieu
Chemosphere
|
December 22, 2019
QSPR versus fragment-based methods to predict octanol-air partition coefficients: Revisiting a recent comparison of both approaches
Didier Mathieu
Journal of Hazardous Materials
|
December 8, 2009
MATEO: a software package for the molecular design of energetic materials
Didier Mathieu
Chemosphere
|
May 17, 2017
Solubility of organic compounds in octanol: Improved predictions based on the geometrical fragment approach
Didier Mathieu
Journal of Chemical Information and Modeling
|
December 23, 2017
Atom Pair Contribution Method: Fast and General Procedure To Predict Molecular Formation Enthalpies
Didier Mathieu
Journal of Chemical Theory and Computation
|
November 25, 2015
Formation Enthalpies Derived from Pairwise Interactions: A Step toward More Transferable Reactive Potentials for Organic Compounds
Didier Mathieu
Physical Chemistry Chemical Physics : PCCP
|
May 2, 2025
Gurney and cylinder wall velocities of explosives: analytical estimates and thermochemical simulations
Didier Mathieu
The Journal of Physical Chemistry. A
|
February 16, 2013
Toward a physically based quantitative modeling of impact sensitivities
Didier Mathieu
The Journal of Chemical Physics
|
December 18, 2007
Split charge equilibration method with correct dissociation limits
Didier Mathieu
ACS Omega
|
August 29, 2019
Pencil and Paper Estimation of Hansen Solubility Parameters
Didier Mathieu
Page
of 4