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Likelihood of a high-pressure phase of solid hydrogen involving termolecular complexes
1981
The Journal of Physical Chemistry
Electronic-structure calculations have shown that the six-center transition state for the concerted bond exchange among three hydrogen molecules lies -2 eV or more below the dissociation energy of the diatomic molecule. This suggests that solid hydrogen might undergo a high-pressure transition to form a new phase involving termolecular complexes. This possibility is examined by means of lattice-energy calculations employing semitheoretical pair potentials. Although uncertainties in the pair
doi:10.1021/j150625a016
fatcat:byjgwskhdnbmxlhb5ynylp3myq