Dear,
We're wondering what tools there are available in order to estimate
the 'melting point' and 'heat of fusion' from a known crystal
structure (e.g. coordinate file)..?
It concerns mostly small molecules (> 100 atoms).
Many thanks
Kristof
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Kristof Van Hecke, PhD
Biomolecular Architecture
Celestijnenlaan 200F
3001 Heverlee (Leuven)
Belgium
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