18 citations · 19 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2021★ 1 cited
Structural and thermodynamics properties of pure phase alkanes, monoamides and alkane/monoamide mixtures with an ab initio based force-field model
Abdelmounaim Failali, Eléonor Acher, Dominique Guillaumont +2
A polarizable force-field (FF) model for short- and long-alkane chains and amide derivatives was constructed based solely on accurate quantum chemical (QC) calculations. First, the…
physics.chem-ph2019★ 18 cited
Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation automated engine
Eléonor Acher, Michel Masella, Valérie Vallet +1
In the context of nuclear fuel recycling and environmental issues, the understanding of the properties of radio-elements with various approaches remains a challenge regarding their…