Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?

Ekaterina Izgorodina; David R B Brittain; Jennifer L Hodgson; Elizabeth Krenske; Ching Yeh Lin; Mansoor Namazian; Michelle L Coote

Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?

Ekaterina Izgorodina, David R B Brittain, Jennifer L Hodgson, Elizabeth Krenske, Ching Yeh Lin, Mansoor Namazian, Michelle L Coote

School of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

126 Citations (Scopus)

Original language	English
Pages (from-to)	10754 - 10768
Number of pages	15
Journal	The Journal of Physical Chemistry A
Volume	111
Publication status	Published - 2007

Cite this

Izgorodina, E., Brittain, D. R. B., Hodgson, J. L., Krenske, E., Lin, C. Y., Namazian, M., & Coote, M. L. (2007). Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions? The Journal of Physical Chemistry A, 111, 10754 - 10768.

@article{d439d8e8bcca47398b8e9cda9956a226,

title = "Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?",

author = "Ekaterina Izgorodina and Brittain, {David R B} and Hodgson, {Jennifer L} and Elizabeth Krenske and Lin, {Ching Yeh} and Mansoor Namazian and Coote, {Michelle L}",

year = "2007",

language = "English",

volume = "111",

pages = "10754 -- 10768",

journal = "The Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

}