The physics behind chemistry and the periodic table.

@article{Pyykk2012ThePB,
  title={The physics behind chemistry and the periodic table.},
  author={Pekka Pyykk{\"o}},
  journal={Chemical reviews},
  year={2012},
  volume={112 1},
  pages={
          371-84
        }
}
  • P. Pyykkö
  • Published 2012
  • Physics, Medicine
  • Chemical reviews
Relativistic and quantum electrodynamic effects in superheavy elements
Abstract The current status of relativistic electronic structure theory for superheavy elements is reviewed. Recent developments in relativistic quantum theory have made it possible to obtainExpand
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  • J. Autschbach
  • Physics, Medicine
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
  • 2014
This article outlines some basic concepts of relativistic quantum chemistry and recent developments of relativistic methods for the calculation of the molecular properties that define the basicExpand
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In this study, all electron relativistic calculations with 4-component Dirac–Coulomb–Breit (DCB), 4-component Dirac–Coulomb (DC), Dyall’s spin-free Dirac–Coulomb (SFDC), exact two-component (X2C) andExpand
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Knowledge of the repulsive behavior of potential energy curves $V(R)$ at $R\to0$ is necessary for understanding and modeling irradiation processes of practical interest. $V(R)$ is in principleExpand
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  • Wenjian Liu
  • Physics, Medicine
  • The Journal of chemical physics
  • 2020
TLDR
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The previous theoretical work is extended here to ions of the actinide family with zero electron orbital momentum, and the correlation of ion-neutral interaction potentials and mobility variations with spatial parameters of the electron distributions in the bare ions is explored through the ionic radii concept. Expand
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QED corrections to the P1/22−P3/22 fine structure in fluorinelike ions: Model Lamb-shift-operator approach
In Li et al. [Phys. Rev. A 98, 020502(R) (2018)] it was claimed that the model-potential computations of the Lamb shift on the $^{2}P_{1/2}\ensuremath{-}^{2}P_{3/2}$ fine structure in fluorinelikeExpand
Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table.
TLDR
The analyses and tools described in this review provide guidelines to help NMR spectroscopists and computational chemists estimate the ranges of the NMR shifts for an unknown compound, identify intermediates in catalytic and other processes, analyze conformational aspects and intermolecular interactions, and predict trends in series of compounds throughout the Periodic Table. Expand
Relativistic effects on the aromaticity of E3M3H3 (E = C-Pb; M = N-Bi) benzene analogues.
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The analysis based on the NICSzz computations agrees with that of the MICD, thus supporting both the magnetic behavior and the aromatic character of these compounds. Expand
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