Calculations of the second virial coefficient and of the transport properties using BSSE-corrupted ab initio potentials

Tolosa, S.; Sansón, J.A.; Valle, Fernando

doi:10.1016/0166-1280(94)80178-9

Journal of Molecular Structure: THEOCHEM

1994

DOI: 10.1016/0166-1280(94)80178-9

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Calculations of the second virial coefficient and of the transport properties using BSSE-corrupted ab initio potentials

S. Tolosa

J.A. Sansón

Fernando Valle

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Calculations of the second virial coefficient and of the transport properties using BSSE-corrupted ab initio potentials

Cited by 2 publications

References 54 publications

Macroscopic properties of the argon system using molecular dynamics simulation with different ab initio energies and analytic functions

Macroscopic properties of the argon system using molecular dynamics simulation with different ab initio energies and analytic functions

Reliability of the ab initio potentials for simple van der Waals systems based on second virial and thermal diffusion coefficients

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