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Publications: Henry, David

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Number of items: 46.

2013

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.

2012

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.

2011

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.

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.

2010

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.

2009

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.

2008

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.

2007

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.

2006

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.

2005

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.

2004

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.

2003

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.

2002

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.

2001

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.

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.

1999

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.

1998

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.

1997

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.

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