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PreviewIssue DateTitleAuthor(s)
2006Rotational Energy Distributions of Benzene Liberated from Aqueous Liquid Microjets: A Comparison between Evaporation and Infrared DesorptionMaselli, O.; Gascooke, J.; Kobelt, S.; Metha, G.; Buntine, M.
2004The lowest-lying excited singlet and triplet electronic states of propanal: an ab initio molecular orbital investigation of the potential energy surfacesBuntine, M.; Lee, J.; Metha, G.
2004Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting statesMoulds, R.; Buntine, M.; Lawrance, W.
2001Reaction pathways of singlet silylene and singlet germylene with water, methanol, ethanol, dimethyl ether, and trifluoromethanol: An ab initio molecular orbital studyHeaven, M.; Metha, G.; Buntine, M.
2008Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional studyAddicoat, M.; Buntine, M.; Yates, B.; Metha, G.
2003Supramolecular Sn•••Cl associations in diorganotin dichlorides and their influence on molecular geometry as studied by ab initio molecular orbital calculationsBuntine, M.; Kosovel, F.; Tiekink, E.
2004The emission spectroscopy of C2 produced in a hydrocarbon/oxygen flame: An APCELL experimentBuntine, M.; Kable, S.; Metha, G.
1997Enantiomerisation in Pendant Arm Triaza Macrocyclic Alkali Metal Complex IonsLincoln, S.; Buntine, M.; Wainwright, K.; Valente, P.; Weeks, J.; Whitbread, S.
2007From APCELL to ACELL and beyond - Expanding a multi-institution project for laboratory-based teaching and learningJamie, I.; Read, J.; Barrie, S.; Bucat, R.; Buntine, M.; Crisp, G.; George, A.; Kable, S.
2007BFW: A density functional for transition metal clustersAddicoat, M.; Buntine, M.; Metha, G.; Gilbert, A.; Gill, P.