Spin–orbit effects on the transactinide p-block element monohydrides MH (M=element 113–118)

@article{Han2000SpinorbitEO,
  title={Spin–orbit effects on the transactinide p-block element monohydrides MH (M=element 113–118)},
  author={Y. Han and Cheolbeom Bae and S. Son and Y. Lee},
  journal={Journal of Chemical Physics},
  year={2000},
  volume={112},
  pages={2684-2691}
}
Spin–orbit effects on the bond lengths and dissociation energies of sixth- and seventh-row p-block element monohydrides MH(M=Tl–Rn and element 113–118) are evaluated using relativistic effective core potentials at the coupled-cluster level of theory. Spin–orbit effects play a dominant role in the determination of molecular properties for the seventh-row hydrides. Spin–orbit effects on the bond lengths and dissociation energies of seventh-row hydrides are qualitatively similar to, but… Expand
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References

SHOWING 1-10 OF 97 REFERENCES
Spin-Orbit Effects, VSEPR Theory, and the Electronic Structures of Heavy and Superheavy Group IVA Hydrides and Group VIIIA Tetrafluorides. A Partial Role Reversal for Elements 114 and 118.
  • 38
SEPARABILITY OF SPIN-ORBIT AND CORRELATION ENERGIES FOR THE SIXTH-ROW MAIN GROUP HYDRIDE GROUND STATES
  • 25
  • PDF
Spin-Orbit Effects on the Electronic Structure of Heavy and Superheavy Hydrogen Halides: Prediction of an Anomalously Strong Bond in H(117)
  • 26
Two-component calculations for the molecules containing superheavy elements: Spin–orbit effects for (117)H, (113)H, and (113)F
  • 37
Spin–orbit configuration interaction study of the potential energy curves and radiative lifetimes of the low‐lying states of bismuth hydride
  • 65
An extrapolation scheme for spin–orbit configuration interaction energies applied to the ground and excited electronic states of thallium hydride
  • 29
Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au2, TlH and Tl2
  • 69
Relativistic ab initio model potential calculations including spin–orbit effects through the Wood–Boring Hamiltonian
  • 83
  • PDF
The chemistry of the superheavy elements. I. Pseudopotentials for 111 and 112 and relativistic coupled cluster calculations for (112)H+, (112)F2, and (112)F4
  • 110
Relativistic effects on the bonding of heavy and superheavy hydrogen halides
  • 61
...
1
2
3
4
5
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