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Calculations were carried out using MONSTERGAUSS (closed shell, SCF, ab-initio calculations) The basis set was STO-3G* (d-orbitals for phosphorus) with full geometry optimization for non-hydrogen atoms
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Calculations were carried out using MONSTERGAUSS (closed shell, SCF, ab-initio calculations) The basis set was STO-3G* (d-orbitals for phosphorus) with full geometry optimization for non-hydrogen atoms.
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