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The Journal of Physical Chemistry. A|October 19, 2010
First-principles prediction of the pK(a)s of anti-inflammatory oxicamsJunming Ho, Michelle L Coote, Marco Franco-Pérez, et al.The Journal of Physical Chemistry. A|April 27, 2011
Is the bisphenol A biradical formed in the pyrolysis of polycarbonate?Sundaram Arulmozhiraja, Michelle L Coote, Yuki Kitahara, et al.Nature Chemistry|May 23, 2013
Switching radical stability by pH-induced orbital conversionGanna Gryn'ova, David L Marshall, Stephen J Blanksby, et al.The Journal of Physical Chemistry. B|December 29, 2010
Estimation of standard reduction potentials of halogen atoms and alkyl halidesAbdirisak A Isse, Ching Yeh Lin, Michelle L Coote, et al.ACS Combinatorial Science|July 20, 2017
Bias-Free Chemically Diverse Test Sets from Machine LearningEllen T Swann, Michael Fernandez, Michelle L Coote, et al.The Journal of Physical Chemistry. A|March 25, 2009
Comparison of G3 and G4 theories for radical addition and abstraction reactionsChing Yeh Lin, Jennifer L Hodgson, Mansoor Namazian, et al.The Journal of Physical Chemistry. A|August 4, 2009
Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theoryDavid C Graham, Ambili S Menon, Lars Goerigk, et al.Journal of the American Chemical Society|January 11, 2012
The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactionsDenis Bucher, Gregory M Sandala, Bo Durbeej, et al.Chemical Research in Toxicology|January 30, 2019
Carnosine and Carcinine Derivatives Rapidly React with Hypochlorous Acid to Form Chloramines and DichloraminesLuke Carroll, Amir Karton, Leo Radom, et al.The Journal of Physical Chemistry. A|December 7, 2007
One-electron oxidation and reduction potentials of nitroxide antioxidants: a theoretical studyJennifer L Hodgson, Mansoor Namazian, Steven E Bottle, et al.Pageof 30