Concepedia

Theoretical insights into the oxidation of quinmerac herbicide initiated by HO• radical in aqueous media: Mechanism, kinetics, and ecotoxicity

Thị Chinh Ngo, Sonia Taamalli, Zainab Srour, Valérie Fèvre-Nollet, Abderrahman El Bakali, Florent Louis, Ivan Černušák, Duy Quang Dao

Journal of environmental chemical engineering · 2023 · 14 citations · 30 references

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30

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

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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text

, , +17

On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. I

R. A. Marcus · The Journal of Chemical Physics · 1956 · 6K citations

, , +14

Diffusion-controlled reaction rates

Frank Collins, George E. Kimball · Journal of Colloid Science · 1949 · 1.3K citations

The restricted active space (RAS) state interaction approach with spin–orbit coupling

Per‐Åke Malmqvist, Björn O. Roos, Bernd Schimmelpfennig · Chemical Physics Letters · 2002 · 1.2K citations

, , +9