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The Journal of Physical Chemistry. A|May 18, 2012
Reaction of methacrolein with the hydroxyl radical in air: incorporation of secondary O2 addition into the MACR + OH master equationGabriel da SilvaThe Journal of Physical Chemistry. A|May 18, 2012
Noise-immune cavity-enhanced optical heterodyne detection of HO2 in the near-infrared rangeClaire L Bell, Jean-Pierre H van Helden, Tom P J Blaikie, et al.The Journal of Physical Chemistry. A|May 18, 2012
Effect of pH on the photophysical and redox properties of a ruthenium(II) mixed chelate derived from imidazole-4,5-dicarboxylic acid and 2,2'-bipyridine: an experimental and theoretical investigationShyamal Das, Debasish Saha, Srikanta Karmakar, et al.The Journal of Physical Chemistry. A|October 3, 2013
Relative contribution of combined kinetic and exchange energy terms vs the electronic component of molecular electrostatic potential in hardness potential derivativesRituparna Bhattacharjee, Ram Kinkar RoyThe Journal of Physical Chemistry. A|October 9, 2013
Role of fluorophore-metal interaction in photoinduced electron transfer (PET) sensors: time-dependent density functional theory (TDDFT) studyHyunjung Lee, Robert D Hancock, Hee-Seung LeeThe Journal of Physical Chemistry. A|October 8, 2013
Predictive theory for the addition and insertion kinetics of 1CH2 reacting with unsaturated hydrocarbonsDaniela Polino, Stephen J Klippenstein, Lawrence B Harding, et al.The Journal of Physical Chemistry. A|October 8, 2013
Ab initio treatment of ion-induced charge transfer dynamics of isolated 2-deoxy-D-riboseMarie-Christine Bacchus-MontabonelThe Journal of Physical Chemistry. A|October 8, 2013
Oxidation reactions of 1- and 2-naphthols: an experimental and theoretical studyR Sreekanth, Kavanal P Prasanthkumar, M M Sunil Paul, et al.The Journal of Physical Chemistry. A|October 8, 2013
Comparison of ReaxFF, DFTB, and DFT for phenolic pyrolysis. 1. Molecular dynamics simulationsTingting Qi, Charles W Bauschlicher, John W Lawson, et al.The Journal of Physical Chemistry. A|December 16, 2005
Highly compact wave functions for He-like systemsFrank E Harris, Vedene H SmithPageof 2,780