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Publications by Morgane Vacher

How Machine Learning Can Assist the Interpretation of Ab Initio Molecular Dynamics Simulations and Conceptual Understanding of Chemistry

Chemical Science
Chemistry
2019English

Nuclear Spatial Delocalization Silences Electron Density Oscillations in 2-Phenyl-Ethyl-Amine (PEA) and 2-Phenylethyl-N,n-Dimethylamine (PENNA) Cations

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Publisher’s Note: “Nuclear Spatial Delocalization Silences Electron Density Oscillations in 2-Phenyl-Ethyl-Amine (PEA) and 2-Phenylethyl-N,n-Dimethylamine (PENNA) Cations” [J. Chem. Phys. 144, 104110 (2016)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Electron Dynamics Upon Ionization: Control of the Timescale Through Chemical Substitution and Effect of Nuclear Motion

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

The Second-Order Ehrenfest Method

Theoretical Chemistry Accounts
Theoretical ChemistryPhysical
2014English

Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

2020English

Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

2020English

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