Concepedia

Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride

Moyocoyani Molina‐Espíritu, Rodolfo O. Esquivel, Miroslav Kohout, J. C. Angulo, José A. Dobado, J. S. Dehesa, S. López‐Rosa, Catalina Soriano‐Correa

Journal of Molecular Modeling · 2014 · 174 citations · 56 references

DOI

Concepts

References

56

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

<i>The Mathematical Theory of Communication</i>

Claude E. Shannon, Warren Weaver, Norbert Wiener · Physics Today · 1950 · 9.9K citations

, , +9

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

, , +6