Water conduction through the hydrophobic channel of a carbon nanotube
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...Cumulant expansions [76,79,62,41] are an effective approximation for the exponential average; since the lower-order terms of the expansion are less influenced by statistical error, the systematic error introduced by truncating the higher order terms may be considerably smaller than the statistical error which would be introduced by including them....
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...These observations suggest that carbon nanotubes, with their rigid nonpolar structure...
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...Solvated in a cubic box with 1,034 TIP3P water molecule...
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...Molecular dynamics simulations were performed at constant pressur...
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...0 (University of California at San Francisco), with particle-mesh Ewald electrostatic...
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...086 kcal mol -1 , corresponding to sp 2 carbons in the AMBER96 force fiel...
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