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Records 1 to 20 of 378

Authors Title Journal Year

Vol.

Issue

Pages

Buszek R. J.;Francisco, J. S. The Gas-Phase Decomposition of CF3OH with Water: A Radical-Catalyzed Mechanism Journal of Physical Chemistry A 2009 113 - 5333-5341
Yu H. G.;Francisco, J. S. Theoretical Study of the Reaction of CH3 with HOCO Radicals Journal of Physical Chemistry A 2009 113 - 3844-3849
Du S. Y.;Francisco, J. S. Spectroscopic properties and stability of the SH center dot H2O open shell complex Journal of Chemical Physics 2009 130 - -
Poggi G.;Francisco, J. S. An ab initio study of the reaction of HOCO radicals with NO2: Addition/elimination mechanism Journal of Chemical Physics 2009 130 - -
Du S. Y.;Francisco, J. S.;Kais, S. Study of electronic structure and dynamics of interacting free radicals influenced by water Journal of Chemical Physics 2009 130 - -
Franz J.;Francisco, J. S.;Peyerimhoff, S. D. Production of singlet oxygen atoms by photodissociation of oxywater Journal of Chemical Physics 2009 130 - -
Clark J.;English, A. M.;Hansen, J. C.;Francisco, J. S. Computational study on the existence of organic peroxy radical-water complexes (RO2 center dot H2O) Journal of Physical Chemistry A 2008 112 - 1587-1595
Du S. Y.;Francisco, J. S.;Shepler, B. C.;Peterson, K. A. Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations Journal of Chemical Physics 2008 128 - -
Du S.;Francisco, J. S. Interaction between OH radical and the water interface Journal of Physical Chemistry A 2008 112 - 4826-4835
Du S. Y.;Francisco, J. S.;Schenter, G. K.;Garrett, B. C. Many-body decomposition of the binding energies for OH center dot(H2O)(2) and OH center dot(H2O)(3) complexes Journal of Chemical Physics 2008 128 - -
Eisfeld W.;Francisco, J. S. Excited states and photodissociation of hydroxymethyl hydroperoxide Journal of Chemical Physics 2008 128 - -
Grant D. J.;Dixon, D. A.;Kemeny, A. E.;Francisco, J. S. Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations Journal of Chemical Physics 2008 128 - -
Grant D. J.;Matus, M. H.;Switzer, J. R.;Dixon, D. A.;Francisco, J. S.;Christe, K. O. Bond dissociation energies in second-row compounds Journal of Physical Chemistry A 2008 112 - 3145-3156
Harkless J. A. W.;Francisco, J. S. Bond dissocation and conformational energetics of tetrasulfur: A quantum Monte Carlo study Journal of Physical Chemistry A 2008 112 - 2088-2092
Martinez-Aviles M.;Yang, S. Y.;Francisco, J. S. Structure and vibrational spectra of bromine reservoir species from the atmospheric oxidations of bromoethane and bromopropane Molecular Physics 2008 106 - 299-314
Matthews J.;Martinez-Aviles, M.;Francisco, J. S.;Sinha, A. Probing OH stretching overtones of CH3OOH through action spectroscopy: Influence of dipole moment dependence on HOOC torsion Journal of Chemical Physics 2008 129 - -
Peterson K. A.;Mitrushchenkov, A.;Francisco, J. S. A theoretical study of the spectroscopic properties of the ground and first excited electronic state of HS2 Chemical Physics 2008 346 - 34-44
Ravelo R. M.;Francisco, J. S. Proton affinity of methyl peroxynitrate Journal of Physical Chemistry A 2008 112 - 1981-1985
Rosado-Reyes C. M.;Martinez-Aviles, M.;Francisco, J. S. Computational study of the reaction of n-bromopropane with OH radicals and Cl atoms Advances in Quantum Chemistry: Applicati 2008 55 - 215-244
Yu H. G.;Francisco, J. S.;Muckerman, J. T. Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO Journal of Chemical Physics 2008 129 - -