Concepedia

A tetrameric allyl complex of sodium, and computational modeling of the 23Na–allyl chemical shift

C. Heather McMillen, Cameron K. Gren, Timothy P. Hanusa, Arnold L. Rheingold

Inorganica Chimica Acta · 2010 · 16 citations · 62 references

DOI

Concepts

References

62

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Solvent effects on the reactivities of organometallic compounds

V. Gutmann · Coordination Chemistry Reviews · 1976 · 967 citations

, , +13

Toward chemical accuracy in the computation of NMR shieldings: the PBE0 model

Carlo Adamo, Vincenzo Barone · Chemical Physics Letters · 1998 · 314 citations

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23Na NMR Spectroscopy of Solids: Interpretation of Quadrupole Interaction Parameters and Chemical Shifts

Hubert Koller, G. Engelhardt, Arno P. M. Kentgens et al. · The Journal of Physical Chemistry · 1994 · 310 citations

, , +11

Computed<sup>13</sup>C NMR Chemical Shifts via Empirically Scaled GIAO Shieldings and Molecular Mechanics Geometries. Conformation and Configuration from<sup>13</sup>C Shifts

David Forsyth, Albert B. Sebag · Journal of the American Chemical Society · 1997 · 291 citations

, , +17