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1 Ergebnisse
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A general purpose acetonitrile interaction potential to des..:
Hernández Cobos, Jorge
;
Martínez Fernández, José Manuel
;
Rodríguez Pappalardo, Rafael
..
Journal of Molecular Liquids, 318, 113975.. , 2023
Link:
https://idus.us.es/handle//11441/152726
RT Journal T1
A general purpose acetonitrile interaction potential to describe its liquid, solid and gas phases
UL https://suche.suub.uni-bremen.de/peid=base-ftunivsevillair:oai:idus.us.es:11441_152726&Exemplar=1&LAN=DE A1 Hernández Cobos, Jorge A1 Martínez Fernández, José Manuel A1 Rodríguez Pappalardo, Rafael A1 Ortega Blake, Iván A1 Sánchez Marcos, Enrique PB Elsevier YR 2023 K1 Ab initio force field K1 Polarizable and flexible acetonitrile model K1 MD simulations K1 X-ray and neutron diffractograms K1 Physicochemical properties K1 Acetonitrile crystals JF Journal of Molecular Liquids, 318, 113975. LK http://dx.doi.org/https://idus.us.es/handle//11441/152726 DO https://idus.us.es/handle//11441/152726 SF ELIB - SuUB Bremen
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