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

Research output: Contribution to journalArticleResearchpeer-review

126 Citations (Scopus)
Original languageEnglish
Pages (from-to)10754 - 10768
Number of pages15
JournalThe Journal of Physical Chemistry A
Volume111
Publication statusPublished - 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.