Concepedia

Synthesis, crystal structure, vibrational spectroscopy, DFT, optical study and thermal analysis of a new stannate(IV) complex based on 2-ethyl-6-methylanilinium (C9H14N)2[SnCl6]

I. Feddaoui, Mohammed S.M. Abdelbaky, Santiago Garcı́a-Granda, K. Essalah, Chérif Ben Nasr, Mohamed Habib Mrad

Journal of Molecular Structure · 2019 · 41 citations · 46 references

DOIFull text

Open access

Concepts

References

46

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

Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 42.5K citations · Full text

, , +16

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8.2K citations · Full text

, , +17

Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

, , +12