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20102023
most citedOn the accurate calculation of the dielectric constant and the diffusion coefficient from molecular dynamics simulations: the case of SPC/E water

124 citations · 603 across the 24 of their papers we have counts for

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Showing 2016Show all

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physics.chem-ph2016★ 32 cited

Intermolecular orientations in liquid acetonitrile: new insights based on diffraction measurements and all-atom simulations

Szilvia Pothoczki, László Pusztai

Intermolecular correlations in liquid acetonitrile (CH3CN) have been revisited by calculating orientational correlation functions. In the present approach, hydrogen atoms are inclu…