ROHFRestricted Open-Shell Hartree-Fock
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For all the different clusters we used the following protocol: as a first step a restricted open-shell Hartree-Fock (ROHF) calculation was performed to optimize the orbitals for the high-spin wavefunction that can be described by only one spin-adapted Slater determinant.
In Table 6, the ROHF energies on the different spin multiplicity with respect to the lowest one are reported.
Associations of grit with different broad types of food items were examined using a linear regression model (Sokal and Rohf, 2000).