R.Bianco, P. J. Hay and J.T. Hynes,"Theoretical Study of O-O Single Bond Formation in the Oxidation of Water by the Ruthenium Blue Dimer”, J. Phys. Chem. A, 115, 8003 (2011).
J.Malhado, R. Spezia and J.T. Hynes, « Dynamical Friction Effects on the Photoisomerization of a Model Protonated Schiff Base in Solution », J. Phys. Chem. A, 115, 3720 (2011).
I. Tunon and J. T. Hynes, “A Simple Model for Barrier Frequencies for Enzymatic Reactions”, ChemPhysChem, 12, 184 (2011).
D. Laage, G. Stirnemann, F. Sterpone, R. Rey and J. T. Hynes, « Reorientation and Allied Dynamics in Water and Aqueous Solutions », Annu. Rev. Phys. Chem., 62, 395 (2011).
S. Wang, R. Bianco and J. T. Hynes, « Dissociation of Nitric Acid at an Aqueous Surface: Large Amplitude Motions in the Contact Ion Pair to Solvent-Separated Ion Pair Conversion », PhysChemChemPhys, 12, 8241 (2010).
F. Sterpone, G. Stirnemann, J.T. Hynes and D.Laage, “Water Hydrogen Bond Dynamics around Amino Acids: the Key Role of Hydrophilic Hydrogen-Bond Acceptor Groups”, J. Phys. Chem B.114, 2083 (2010).
S.Wang, R. Bianco and J.T. Hynes, “Depth-Dependent Dissociation of Nitric Acid at an Aqueous Surface: Car-Parrinello Dynamics”, J. Phys. Chem. A, 113, 1295 (2009).
R. Rey, F. Ingrosso, T. Elsaesser and J. T. Hynes, “Pathways for H2O Bend Vibrational Relaxation in Liquid Water”. J. Phys. Chem. A, 113, 8949 (2009).
D.M. Koch, C. Toubin, G. H. Peslherbe and J.T. Hynes, “Theoretical Study of the Formation of the AminoAcetonitrile Precursor of Glycine on Icy Grain Mantles in the Interstellar Medium”, J. Phys. Chem. C, 112, 12972 (2008).
A. Mukherjee, R. Lavery, B. Bagchi and J. T. Hynes, "On the Molecular Mechanism of Drug Intercalation into DNA : A Simulation Study of the Intercalation Pathway, Free Energy and DNA Structural Changes", J. Amer. Chem. Soc., 130, 9747 (2008).
