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Sep 29, 2015 at 23:21 vote accept Ben Norris
Jun 3, 2015 at 22:04 history edited Nicolau Saker Neto CC BY-SA 3.0
Trying to avoid a slight ambiguity
Jun 3, 2015 at 21:38 comment added Nicolau Saker Neto It should be pointed out that the type of molecular volume I mention (macroscopic volume occupied by liquid divided by number of molecules present = effective molecular volume) is not equivalent to the volume most often mentioned in computational chemistry, which is the region enclosed by the van der Waals surface. The only way to obtain the effective molecular volume would be to simulate a large box filled with molecules at a temperature high enough for them to be liquid, and not just by calculating the geometry of a single molecule.
Jun 3, 2015 at 21:23 comment added Ben Norris The relation to density is certainly compelling. I'm wondering if there is any computational data that can be present on the relative surface areas (or perhaps more importantly surface area to volume ratios).
Jun 3, 2015 at 21:20 history edited Nicolau Saker Neto CC BY-SA 3.0
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Jun 3, 2015 at 21:12 history edited Nicolau Saker Neto CC BY-SA 3.0
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Jun 3, 2015 at 20:59 history answered Nicolau Saker Neto CC BY-SA 3.0