Concepedia

Kinetics, mechanism and thermochemistry of the gas phase reactions of CF3CH2OCH2CF3 with OH radicals: A theoretical study

Makroni Lily, Bhupesh Kumar Mishra, Asit K. Chandra

Journal of Fluorine Chemistry · 2014 · 30 citations · 44 references

DOI

Concepts

References

44

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

Density Functionals with Broad Applicability in Chemistry

Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research · 2008 · 7.1K citations

, , +17

Atmospheric chemistry of VOCs and NOx

Roger Atkinson · Atmospheric Environment · 2000 · 3.6K citations

, , +12

A Correlation of Reaction Rates

George S. Hammond · Journal of the American Chemical Society · 1955 · 3.5K citations

, , +5

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

, , +17