论文信息 - Single particle dynamics of liquid carbon disulfide

Single particle dynamics of liquid carbon disulfide

Single particle dynamics of liquid CS2 is analyzed on the basis of a molecular dynamics simulation involving 512 particles and lasting 30 ps. CS2 molecules are modelled as rigid entities interacting by a three-centre Lennard-Jones potential. Selected time correlation functions are discussed and their time integrals compared to experimental diffusion coefficients.

Othmar Steinhauser | O. Steinhauser

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