305 citations · 1.7k across the 51 of their papers we have counts for
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Interfaces of Propylene Carbonate
Xinli You, Mangesh I. Chaudhari, Lawrence R. Pratt +3
Propylene carbonate (PC) wets graphite with a contact angle of 31 deg at ambient conditions. Molecular dynamics simulations agree with this contact angle after 40% reduction of the…
Microstructures of capped ethylene oxide oligomers in water and n-hexane
Mangesh I. Chaudhari, Lawrence R. Pratt
This report documents microstructural features of CH3(CH2-O-CH2)mCH3 dissolved in water and n-hexane for m = 11, 21, and 31. Probability densities for end-to-end distance, and the…
Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol
P. Zhu, L. R. Pratt, K. D. Papadopoulos
Molecular dynamics simulations are obtained and analyzed to study pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol, in particular by evaluating the p…