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VALDÉZ-GONZÁLEZ , Maximiliano

Last name: VALDÉZ-GONZÁLEZ

First name: Maximiliano

October 25, 2016 (v1)

Publication

Metadata-only

Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation

Valdéz-González, Maximiliano Saint-Martin, Humberto Hernández Cobos, Jorge

Monte Carlo simulations of liquid methanol were performed using a refined ab initio derived potential which includes polarizability, nonadditivity, and intramolecular relaxation. The results present good agreement between the energetic and structural properties predicted by the model and those predicted by ab initio calculations of methanol...

Uploaded on: March 27, 2023