Hydrogen Molecule

Hydrogen Molecule Investigate the hydrogen molecule and bond length using different force fields. Task Create molecule using drawing tool. Minimize energy, measure length of bond. Enable display of it’s orbitals. Solution Issues Different force fields give different results: Force field Bond length (Å) GAFF 1.10 Ghemical 1.01 MMFF(s) Cannot setup force field UFF 0.71 According to 1, accurate result is 0.074 nm, so the UFF force field should be used. See also Hydrogen cluster Categories: Teaching Updated: November 26, 2009 Share on Twitter Facebook Google+ Reddit

This is a companion discussion topic for the original entry at https://avogadro.cc/teaching/hydrogen_molecule/