Concepedia

Theoretical studies on the reaction mechanism and kinetics of the atmospheric reactions of 1,4-thioxane with OH radical

L. Sandhiya, Ponmalai Kolandaivel, K. Senthilkumar

Structural Chemistry · 2012 · 27 citations · 46 references

DOI

Concepts

References

46

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K 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 · 100.1K citations

, , +17

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

, , +17

<i>Atmospheric Chemistry and Physics: From Air Pollution to Climate Change</i>

John H. Seinfeld, Spyros Ν. Pandis, K. Noone · Physics Today · 1998 · 9K citations

, , +17

The path of chemical reactions - the IRC approach

Kenichi Fukui · Accounts of Chemical Research · 1981 · 6.6K citations

, , +5