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Publications: Henry, David

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Number of items: 46.

Journal Article

Henry, D.J. (2013) Hydrogen adsorption on gallium nanoclusters. The Journal of Physical Chemistry C, 117 (49). pp. 26269-26279.

Kaur, B., Bhattacharya, S.N. and Henry, D.J. (2013) Interpreting the near-infrared reflectance of a series of perylene pigments. Dyes and Pigments, 99 (2). pp. 502-511.

Laird, D.W. and Henry, D.J. (2013) Is there Ni in my liquor? A hands-on laboratory exercise for relating chemistry to extractive metallurgy. Journal of Chemical Education, 90 (12). pp. 1671-1674.

Shaw, L.A., Yiapanis, G., Henry, D.J., MacLaughlin, S., Evans, E. and Yarovsky, I. (2013) Surface crosslinking effects on contamination resistance of functionalised polymers. Soft Matter, 9 (6). pp. 1798-1806.

Yiapanis, G., Henry, D.J., Maclaughlin, S., Evans, E. and Yarovsky, I. (2012) Effect of substrate on the mechanical response and adhesion of PEGylated surfaces: Insights from all-atom simulations. Langmuir, 28 (50). pp. 17263-17272.

Henry, D.J. (2012) Structures and stability of doped gallium nanoclusters. The Journal of Physical Chemistry C, 116 (46). pp. 24814-24823.

Prime, E.L., Henry, D.J., Yarovsky, I., Qiao, G.G. and Solomon, D.H. (2011) Comb polymers: Are they the answer to monolayer stability? Colloids and Surfaces A: Physicochemical and Engineering Aspects, 384 (1-3). pp. 482-489.

Plazzer, M.B., Henry, D.J., Yiapanis, G. and Yarovsky, I. (2011) Comparative study of commonly used molecular dynamics force fields for modeling organic monolayers on water. The Journal of Physical Chemistry B, 115 (14). pp. 3964-3971.

Menon, A.S., Henry, D.J., Bally, T. and Radom, L. (2011) Effect of substituents on the stabilities of multiply-substituted carbon-centered radicals. Organic & Biomolecular Chemistry, 9 (10). pp. 3636-3657.

Henry, D.J., Szarek, P., Hirai, K., Ichikawa, K., Tachibana, A. and Yarovsky, I. (2011) Reactivity and regioselectivity of aluminum nanoclusters: Insights from regional density functional theory. Journal of Physical Chemistry C, 115 (5). pp. 1714-1723.

Varano, A., Henry, D.J. and Yarovsky, I. (2011) Role of Hydrogen in Dimerizaton of Aluminum Clusters: A Theoretical Study. The Journal of Physical Chemistry A, 115 (26). pp. 7734-7743.

Varano, A., Henry, D.J. and Yarovsky, I. (2010) DFT study of H adsorption on magnesium-doped aluminum clusters. The Journal of Physical Chemistry A, 114 (10). pp. 3602-3608.

Henry, D.J., Dewan, V.I., Prime, E. L., Qiao, G.G., Solomon, D.H. and Yarovsky, I. (2010) Monolayer structure and evaporation resistance: A molecular dynamics study of octadecanol on water. The Journal of Physical Chemistry B, 114 (11). pp. 3869-3878.

Yiapanis, G., Henry, D.J., Evans, E. and Yarovsky, I. (2010) Simulations of nanoindentation of polymer surfaces: Effects of surface cross-linking on adhesion and hardness. Journal of Physical Chemistry C, 114 (1). pp. 478-486.

Budi, A., Henry, D.J., Gale, J.D and Yarovsky, I. (2009) Comparison of embedded atom method potentials for small aluminium cluster simulations. Journal of Physics: Condensed Matter, 21 (14). p. 144206.

Henry, D.J. and Yarovsky, I. (2009) Dissociative adsorption of hydrogen molecule on aluminum clusters: Effect of charge and doping. The Journal of Physical Chemistry A, 113 (11). pp. 2565-2571.

Henry, D.J., Varano, A. and Yarovsky, I. (2009) First principles investigation of H addition and abstraction reactions on doped aluminum clusters. The Journal of Physical Chemistry A, 113 (20). pp. 5832-5837.

Szarek, P., Hirai, K., Ichikawa, K., Henry, D.J., Yarovsky, I., Tachibana, A., Wei, D-Q and Wang, X-J (2009) Regional DFT—electronic stress tensor study of aluminum nanostructures for hydrogen storage. AIP Conference Proceedings, 1102 . pp. 299-305.

Yiapanis, G., Henry, D.J., Evans, E. and Yarovsky, I. (2008) Molecular dynamics study of polyester surfaces and fullerene particles in aqueous environment. Journal of Physical Chemistry C, 112 (46). pp. 18141-18149.

Henry, D.J., Varano, A. and Yarovsky, I. (2008) Performance of numerical basis set DFT for aluminum clusters. The Journal of Physical Chemistry A, 112 (40). pp. 9835-9844.

Yiapanis, G., Henry, D.J., Evans, E. and Yarovsky, I. (2007) Effect of aging on interfacial adhesion between polyester and carbon-based particles: A classical molecular dynamics study. Journal of Physical Chemistry C, 111 (17). pp. 6465-6472.

Yiapanis, G., Henry, D.J., Evans, E. and Yarovsky, I. (2007) Effect of surface composition and atomic roughness on interfacial adhesion between polyester and amorphous carbon. Journal of Physical Chemistry C, 111 (7). pp. 3000-3009.

Henry, D.J., Evans, E. and Yarovsky, I. (2007) A molecular dynamics study of siloxane diffusion in a polyester–melamine solution. Polymer, 48 (7). pp. 2179-2185.

Henry, D.J., Evans, E. and Yarovsky, I. (2006) Classical molecular dynamics study of [60]fullerene interactions with silica and polyester surfaces. The Journal of Physical Chemistry B, 110 (32). pp. 15963-15972.

Yarovsky, I., Henry, D.J., Yiapanis, G. and Evans, E. (2006) Colorbond® meets nanotech: Understanding coating interactions with the environment. Chemistry in Australia, 73 (3). pp. 11-13.

Henry, D.J., Yiapanis, G., Evans, E. and Yarovsky, I. (2005) Adhesion between graphite and modified polyester surfaces: A theoretical study. The Journal of Physical Chemistry B, 109 (36). pp. 17224-17231.

Coote, M.L. and Henry, D.J. (2005) Computer-aided design of a destabilized RAFT adduct radical: Toward improved RAFT agents for styrene-block-vinyl acetate copolymers. Macromolecules, 38 (13). pp. 5774-5779.

Coote, M.L. and Henry, D.J. (2005) Effect of substituants on radical stability in reversible addition fragmentation chain transfer polymerization: An ab initio study. Macromolecules, 38 (4). pp. 1415-1433.

Henry, D.J., Lukey, C., Evans, E. and Yarovsky, I. (2005) Theoretical study of adhesion between graphite, polyester and silica surfaces. Molecular Simulation, 31 (6). pp. 449-455.

Henry, D.J., Coote, M.L., Gómez-Balderas, R. and Radom, L. (2004) Comparison of the kinetics and thermodynamics for methyl radical addition to C=C, C=O and C=S double bonds. Journal of the American Chemical Society, 126 (6). pp. 1732-1740.

Barratt, B.J.W., Easton, C.J., Henry, D.J., Li, I.H.W., Radom, L. and Simpson, J.S. (2004) Inhibition of peptidylglycine α-amidating monooxygenase by exploitation of factors affecting the stability and ease of formation of glycyl radicals. Journal of the American Chemical Society, 126 (41). pp. 13306-13311.

Gómez-Balderas, R., Coote, M.L., Henry, D.J. and Radom, L. (2004) Reliable theoretical procedures for calculating the rate of methyl radical addition to double and triple carbon-carbon bonds. The Journal of Physical Chemistry A, 108 (15). pp. 2874-2883.

Rauk, A., Boyd, R.J, Boyd, S.L, Henry, D.J. and Radom, L. (2003) Alkoxy radicals in the gaseous phase: β-scission reactions and formation by radical addition to carbonyl compounds. Canadian Journal of Chemistry, 81 (6). pp. 431-442.

Henry, D.J., Sullivan, M.B. and Radom, L. (2003) G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry. The Journal of Chemical Physics, 118 (11). pp. 4849-4860.

Henry, D.J., Beckwith, A.L.J. and Radom, L. (2003) Homoanomeric effect in the 1,2-dimethoxyethyl radical. Australian Journal of Chemistry, 56 (5). pp. 429-436.

Wood, G.P.F., Henry, D.J. and Radom, L. (2003) Performance of the RB3-LYP, RMP2, and UCCSD(T) procedures in calculating radical stabilization energies for •NHX radicals. The Journal of Physical Chemistry A, 107 (39). pp. 7985-7990.

Gómez-Balderas, R., Coote, M.L., Henry, D.J., Fischer, H. and Radom, L. (2003) What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes? The Journal of Physical Chemistry A, 107 (31). pp. 6082-6090.

Henry, D.J., Parkinson, C.J. and Radom, L. (2002) An assessment of the performance of high-level theoretical procedures in the computation of the heats of formation of small open-shell molecules. The Journal of Physical Chemistry A, 106 (34). pp. 7927-7936.

Henry, D.J., Parkinson, C.J., Mayer, P.M. and Radom, L. (2001) Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals. The Journal of Physical Chemistry A, 105 (27). pp. 6750-6756.

Dakternieks, D., Dunn, K., Henry, D.J., Schiesser, C.H. and Tiekink, E.R.T. (1999) Organostannanes derived from (−)-Menthol: Controlling stereochemistry during the preparation of (1R,2S,5R)-Menthyldiphenyltin Hydride and Bis((1R,2S,5R)-menthyl)phenyltin Hydride. Organometallics, 18 (17). pp. 3342-3347.

Dakternieks, D., Henry, D.J. and Schiesser, C.H. (1999) Steric trends and kinetic parameters for radical reductions involving alkyldiphenyltin hydrides. Journal of Physical Organic Chemistry, 12 (3). pp. 233-239.

Dakternieks, D., Henry, D.J. and Schiesser, C.H. (1998) Equilibria in free-radical chemistry: An ab initio study of hydrogen atom transfer reactions between silyl, germyl, and stannyl radicals and their hydrides. Organometallics, 17 (6). pp. 1079-1084.

Dakternieks, D., Henry, D.J. and Schiesser, C.H. (1998) Silanes and germanes as free-radical reducing agents: an ab initio study of hydrogen atom transfer from some trialkylsilanes and germanes to alkyl radicals. Journal of the Chemical Society, Perkin Transactions 2 (3). pp. 591-602.

Dakternieks, D., Henry, D.J. and Schiesser, C.H. (1997) Stannanes as free-radical reducing agents: an ab initio study of hydrogen atom transfer from some trialkyltin hydrides to alkyl radicals. Journal of the Chemical Society, Perkin Transactions 2 (9). pp. 1665-1670.

Book Chapter

Yiapanis, G., Henry, D.J., Evans, E.J. and Yarovsky, I. (2011) Theoretical nanoscale design of self-cleaning coatings. In: Kane, D., Micolich, A. and Rabeau, J., (eds.) Nanotechnology in Australia: showcase of early career research. Pan Stanford Publishing, Singapore, pp. 81-111.

Henry, D.J. and Radom, L. (2001) Theoretical thermochemistry of radicals. In: Cioslowski, J., (ed.) Quantum-Mechanical Prediction of Thermochemical Data. Kluwer Academic Publishers, Dordrecht, The Netherlands, pp. 161-197.

This list was generated on Thu Nov 27 01:37:43 2014 GMT.