How accurate does a force field need to be?
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2003, Journal of Molecular Structure: THEOCHEMCitation Excerpt :In fact, the PMM force field involves additive interatomic interactions for bond lengths, valence angles, dihedral angles, out-of-plane bends of sp2 conjugated sites and Lennard-Jones repulsions of non-bonded sites. The basic form and parameterization of the interatomic interactions mentioned above was taken from the Chem-X force field [28,29]. Geometry optimization is further completed by quantum-chemical methods.
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