Unimolecular decomposition of the n-C3H7 radical. Direct dynamics calculation of the thermal rate constant by JITARIU, Luminita C, HONG WANG, HILLIER, Ian H, PILLING, Michael J

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Thermal Rate Coefficients via Variational Transition State Theory for the Unimolecular Decomposition/Isomerization of 1-Pentyl Radical:  Ab Initio and Direct Dynamics Calculations... by Jitariu, Luminita C, Jones, Lee D, Robertson, Struan H, Pilling, Michael J, Hillier, Ian H

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The acidity of tert-butyl alcohol in near- and supercritical water: a polarizable continuum approach by Jitariu, Luminita C, Masters, Andrew J, Hillier, Ian H

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Theoretical investigation of the N2O5 ⇄⇄ NO2 + NO3 equilibrium by density functional theory and ab initio calculations: Molecular reaction dynamics: experiment and theory by JITARIU, L. C, HIRST, D. M

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Theoretical investigation of the potential energy surface for the reaction of NO3 with H: Chemical Reaction Theory by JITARIU, L. C, HIRST, D. M

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Ab Initio Study of the Reaction of NO3 with the OH Radical by Jitariu, Luminita C, Hirst, David M

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Theoretical investigation of the potential energy surface for the reaction of NO3 with H by Jitariu, Luminita C., Hirst, David M.

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An ab initio study of the singlet potential-energy surface for the reaction of NO3 with HO2 by Jitariu, Luminita C., Hirst, David M.

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An ab initio study of dimethyl sulfoxide and its adducts with H2O, HCl and OH by Jitariu, Luminiţa C., Wilson, Craig, Hirst, David M.

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