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 ----------------------------------- Kristof Van Hecke, PhD Biomolecular Architecture Celestijnenlaan 200F 3001 Heverlee (Leuven) Belgium -----------------------------------
