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Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from molecular dynamics simulation

โœ Scribed by Elaheh K. Goharshadi; Mohsen Abbaspour; Majid Namayandeh Jorabchi; Masoud Nahali


Book ID
108089117
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
530 KB
Volume
358
Category
Article
ISSN
0301-0104

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## Abstract Intermolecular interaction energy data for the methane dimer have been calculated at a spectroscopic accuracy and employed to construct an __ab initio__ potential energy surface (PES) for molecular dynamics (MD) simulations of fluid methane properties. The full potential curves of the m