Concepedia

Mechanism and kinetics study on the OH-initiated oxidation of organophosphorus pesticide trichlorfon in atmosphere

Bao Yuan, Chenxi Zhang, Wenbo Yang, Jingtian Hu, Xiaomin Sun

The Science of The Total Environment · 2012 · 20 citations · 22 references

DOI

Concepts

References

22

The path of chemical reactions - the IRC approach

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

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Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1998 · 3.4K citations

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Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing

Axel D. Becke · The Journal of Chemical Physics · 1996 · 2.8K citations

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Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions:  The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions

Yan Zhao, Donald G. Truhlar · The Journal of Physical Chemistry A · 2004 · 1.6K citations

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Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and Its Use to Test Theoretical Methods

Yan Zhao, Núria González‐García, Donald G. Truhlar · The Journal of Physical Chemistry A · 2005 · 799 citations

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