Concepedia

Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF2HCOOCH3 with OH radicals

Peng Zhu, Li-ling Ai, Hui Wang, Jing‐yao Liu

Computational and Theoretical Chemistry · 2014 · 10 citations · 27 references

DOI

Concepts

References

27

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

Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone

Mario J. Molina, F. S. Rowland · Nature · 1974 · 4.4K citations · Full text

, , +14

Current Status of Transition-State Theory

Donald G. Truhlar, Bruce C. Garrett, Stephen J. Klippenstein · The Journal of Physical Chemistry · 1996 · 2.3K citations

, , +5

Variational transition-state theory

Donald G. Truhlar, Bruce C. Garrett · Accounts of Chemical Research · 1980 · 1.3K citations

, , +5

Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene

Yi Ping Liu, Gillian C. Lynch, Thanh N. Truong et al. · Journal of the American Chemical Society · 1993 · 958 citations

, , +11