Select Publications
Journal articles
2002, 'Time-dependent master equation simulation of complex elementary reactions in combustion: Application to the reaction of 1 CH 2 with C 2 H 2 from 300–2000 K', Faraday discussions, 119, pp. 159 - 171
,2001, 'Time evolution in the unimolecular master equation at low temperatures: full spectral solution with scalable iterative methods and high precision', Computer physics communications, 141, pp. 39 - 54
,2000, 'A master equation model for bimolecular reaction via multi-well isomerizing intermediates', Physical Chemistry Chemical Physics, 2, pp. 793 - 803
,2000, 'Solving the unimolecular master equation with a weighted subspace projection method', Journal of Computational Chemistry, 21, pp. 592 - 606
,1998, 'The intermolecular potential energy surface of CO2-Ar and its effect on collisional energy transfer', INTERNET JOURNAL OF CHEMISTRY, 1, pp. CP1 - U25, https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000173142800001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1
,Conference Papers
2015, 'Understanding the rotational excitation in scattering of D
2011, 'Bonding charge density in srtio(3) under an electric field measured by electron diffraction', in ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, INT UNION CRYSTALLOGRAPHY, pp. C175 - C175, http://dx.doi.org/10.1107/S0108767311095651
,Conference Posters
2022, 'Comparative First-Principles Phonon Dispersion of Rutile and Anatase TiO2', Brisbane, Australia, presented at RACI 2022 National Congress, Brisbane, Australia, 03 July 2022 - 08 July 2022
,Preprints
2023, Critical dehydrogenation steps of perhydro-N-ethylcarbazole on Ru(0001) surface, http://dx.doi.org/10.48550/arxiv.2310.15451
,Inooh-Mediated Intergrown Heterojunctions for Enhanced Photocatalytic Performance: Assembly and Interfacial Charge Carrier Transferring, http://dx.doi.org/10.2139/ssrn.4028180
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