Concepedia

Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols

Roan Fraser, Petrus H. Van Rooyen, Jurgens H. de Lange, Ignacy Cukrowski, Marilé Landman

Journal of Organometallic Chemistry · 2017 · 18 citations · 50 references

DOI

Concepts

References

50

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

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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 · 98.6K citations

, , +14

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

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 86.8K citations · Full text

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 28.5K citations

<i>ORTEP</i>-3 for Windows - a version of<i>ORTEP</i>-III with a Graphical User Interface (GUI)

Louis J. Farrugia · Journal of Applied Crystallography · 1997 · 19.9K citations

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