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The Journal of Physical Chemistry. B|April 3, 2009
A blind challenge for computational solvation free energies: introduction and overviewJ Peter GuthrieBioorganic Chemistry|April 17, 2002
Uncatalyzed and amine catalyzed decarboxylation of acetoacetic acid: an examination in terms of No Barrier TheoryJ Peter GuthrieJournal of Computer-Aided Molecular Design|April 8, 2014
SAMPL4, a blind challenge for computational solvation free energies: the compounds consideredJ Peter GuthrieChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 10, 2003
No-barrier theory: calculating rates of chemical reactions from equilibrium constants and distortion energiesJ Peter GuthrieJournal of Computer-Aided Molecular Design|September 24, 2015
Presenting data in such a fashion that they can be used by other scientistsJ Peter GuthrieJournal of Computer-Aided Molecular Design|June 15, 2014
FreeSolv: a database of experimental and calculated hydration free energies, with input filesDavid L Mobley, J Peter GuthrieJournal of Computer-Aided Molecular Design|April 6, 2012
The SAMPL3 blind prediction challenge: transfer energy overviewMatthew T Geballe, J Peter GuthrieJournal of Computer-Aided Molecular Design|March 12, 2014
Blind prediction of solvation free energies from the SAMPL4 challengeDavid L Mobley, Karisa L Wymer, Nathan M Lim, et al.Journal of Computer-Aided Molecular Design|May 11, 2010
The SAMPL2 blind prediction challenge: introduction and overviewMatthew T Geballe, A Geoffrey Skillman, Anthony Nicholls, et al.Journal of the American Chemical Society|December 20, 2008
By how much is protonated benzene stabilized by coordination of iron tricarbonyl?Martin Galvin, J Peter Guthrie, Claire M McDonnell, et al.Pageof 2