Concepedia

Structure, magnetic properties and electronic structure of a nickel(II) complex with redox-active 6-(8-quinolylamino)-2,4-bis(tert-butyl)phenol

Molina A. L. Sheepwash, Alan J. Lough, Lorenzo Poggini, Giordano Poneti, Martin T. Lemaire

Polyhedron · 2015 · 15 citations · 21 references

DOI

Concepts

References

21

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

, , +16

An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

R. Stratmann, Gustavo E. Scuseria, Michael J. Frisch · The Journal of Chemical Physics · 1998 · 5.1K citations

, , +17

Valence bond description of antiferromagnetic coupling in transition metal dimers

Louis Noodleman · The Journal of Chemical Physics · 1981 · 2.5K citations

, , +17