Concepedia

Atmospheric oxidation mechanism of chlorobenzene

Runrun Wu, Sainan Wang, Liming Wang

Chemosphere · 2014 · 26 citations · 17 references

DOI

Concepts

References

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

A complete basis set model chemistry. VII. Use of the minimum population localization method

John A. Montgomery, Michael J. Frisch, Joseph W. Ochterski et al. · The Journal of Chemical Physics · 2000 · 1.9K citations

, , +16

MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions

David R. Glowacki, Chi-Hsiu Liang, Christopher Morley et al. · The Journal of Physical Chemistry A · 2012 · 627 citations

, , +17

TUNNELLING CORRECTIONS FOR UNSYMMETRICAL ECKART POTENTIAL ENERGY BARRIERS

Harold S. Johnston, Julian Heicklen · The Journal of Physical Chemistry · 1962 · 513 citations

, , +9

A restricted-open-shell complete-basis-set model chemistry

Geoffrey P. F. Wood, Leo Radom, George A. Petersson et al. · The Journal of Chemical Physics · 2006 · 246 citations

, , +14