Modeling molecular boiling points using computed interaction energies
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DOI: 10.1007/s00894-017-3552-0
Abstract: The noncovalent van der Waals interactions between molecules in liquids are typically described in textbooks as occurring between the total molecular dipoles (permanent, induced, or transient) of the molecules. This notion was tested by examining… read more here.
Keywords: boiling points; molecular boiling; modeling molecular; hydrogen bonding ... See more keywords