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Polyatomic Molecules of Superheavy Elements

26VE SC RECPs and corresponding (6p6sdlf)/[5p5sdlf] valence basis sets were used for Xe, Rn and element (118), and a (9s5pld)/[4s2pld] all-electron [Pg.398]

The AREP-HF and REP-KRHF optimized bond lengths of RgF2 and RgF (Rg=Xe, Rn, and the element 118), which have and molecular symmetry, respectively. Units are in A. [Pg.399]

Optimized bond lengths of Rgp2 (Rg=Xe, Rn, and element 118) at the HF, MP2, CCSD and CCSD(T) levels of theory using AREPs. The molecular symmetry is Units are in A. [Pg.400]

The REP-KRHF harmonic vibrational frequencies and spin-orbit effects on frequencies (in cm ) for various rare gas fluorides. [Pg.401]

REP reaction energies and spin-orbit effects on reaction energies (eV) for [Pg.403]


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Superheavies

Superheavy elements

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