Time-dependent pair distribution functions based on Smoluchowski equation and application to an electrolyte solution

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Kento Kasahara1, Hirofumi Sato1,2

  • 1Department of Molecular Engineering, Kyoto University, Kyoto, 615-8510, Japan.

Journal of Computational Chemistry
|April 1, 2018
PubMed

Keywords:
3D-RISM theorySmoluchowski equationdynamics of pairs of moleculesmolecular liquidstime-dependent pair distribution function

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