Public Lectures:

Molecular Orbital Modelling of Dendrimers, Nano-tubes & Water on Aragonite :: view

Rutherford and Soddy at McGill :: view

Sullivan without & with Gilbert: A light hearted talk with pictures and musical examples :: view

Recent Publications:
(2001-2009)

Villegas-Jimenez, Adrian; Mucci, Alfonso; Whitehead, M.A.(Tony)
"Theoretical Insights into the Hydrated (10.4) Calcite Surface:
Structure, Energetics and Bonding Relationships" Langmuir, 25, 6813–6824, 2009.

Thomas D.Lazzara, Michael A. Whitehead and Theo G.M.van de Ven "Linear nano-templates of styrene and maleic anhydride alternating copolymers" European Polymer Journal, 45, 1883-1890, 2009

Felaniaina Rakotondradany, Hanadi Sleiman and M. A. Whitehead,“Hydrogen-Bond Self-Assembly of  DNA-Base Analogues: Theory and Experiment” Canadian Journal of Chemistry, 57, 627-639, 2009.

Gaudreault, R.; Whitehead, M.A.; van de Ven, T.G.M., "Molecular modelling review of the association between Poly(ethylene oxide) (PEO) and Cofactor" , 7th International Paper and Coating Chemistry Symposium, 2009, Hamilton, Canada, June 10-12, 2009,
263-276.

M.A (Tony) Whitehead, Ye Tien, Rami Hourani,  Ashok Kakkar, Thomas  D. Lazzara, Theo.G.M.van de Ven, Joseph  Kinghorn Taenzer and Intakhab Alam Zeeshan,  “Molecular Orbital Modelling of Dendrimers, Nanotubes and Water on Aragonite” The Proceedings ot the Fundamental and Applied Pulp & Paper Modelling Symposium, 2008. Cascades Inc. 2009, 23-48.

Theo. G.M. van de Ven, Thomas Dominic Lazzara and M.A(Tony) Whitehead, “From Surface Sizing agents to Advanced Nanomaterials” The Proceedings ot the Fundamental and Applied Pulp & Paper Modelling Symposium, 2008. Cascades Inc. 2009, 63-75.

Roger Gaudreault, M. A. Whitehead and Theo. G.M. van de Ven, “Quantum Theory of  Hydrogen Bonds in PEO/Cofactor complex”. The Proceedings ot the Fundamental and Applied Pulp & Paper Modelling Symposium, 2008. Cascades Inc. 2009, 149-166.

Thomas D. Lazzara, Michael A. Whitehead, and Theo G. M. van de Ven, Effect of Chirality on ð-Stacking in Styrene and Maleimide Alternating Copolymer, J. Phys. Chem.B 2008, 112, 4892-4899.

Thomas D. Lazzara , Theo G.M. van de Ven, M. A. (Tony) Whitehead “Nanotube self-assembly of a styrene and maleimide alternating copolymer”  IPCG Newsletter- February 2008

Thomas D. Lazzara , Theo G.M. van de Ven, M. A. (Tony) Whitehead “Nanotube self-assembly of a styrene and maleimide alternating copolymer” Macromolecules, 2008, 41, 6747–6751

Hourani, R.; Whitehead, M. A.; Kakkar, A.K., “Turbine Shape Organotin Dendrimers: Photophysical Properties and Direct Replacement of Sn with Pt”, Macromolecules 2008, 41, 508.

M.A.Whitehead, Scientific and Social 2005 FAPPMMS, 2007

Roger Gaudreault and Tony Whitehead "How Innovation can contribute to the Future of Cascades" Innovation, Cascadeur, (March 2007), 8-9

Rami Hourani; Ashok Kakkar and M. A. Whitehead, Theoretical investigation of 3,5-dihydroxybenzylalcohol based dendrimer generations 1-5 using Molecular Mechanics (MM+) method and the PM3 Semi-Empirical Molecular Orbital Theory, THEOCHEM 2007, 807(1-3), 101-107

Felaniaina Rakotondradany, Hanadi Sleiman and M.A.Whitehead, Theoretical study of self-assembled hydrogen-bonded azodibenzoic acid tapes and rosettes, Journal of Molecular Structure:THEOCHEM 806, (2007) 39-50

C. Malardier-Jugroot, M.A. Whitehead and Theo van de Ven, Polymeric nanotubes and nanorods made from poly(styrene-alt-maleic anhydride) and polypyrrole, Proceedings of the First Applied Pulp & Paper Molecular Modelling Symposium, Cascades Ltd. (2006), Poster, 279.

A. Villegas-Jiménez, A. Mucci and M. A. Whitehead, Ab initio molecular orbital investigation of the chemical interactions of water with the (10.4) calcite surface, Proceedings of the First Applied Pulp & Paper Molecular Modelling Symposium, Cascades Ltd. (2006), 227 2444.

Cécile Malardier-Jugroot, T.G.M. van de Ven and M.A. Whitehead, Theoretical characterisation of the self-association of poly(styrene-alt-maleic anhydride) chains in water at the nanoscale level, Proceedings of the First Applied Pulp & Paper Molecular Modelling Symposium, Cascades Ltd. (2006), 257 – 270.

M.A.Whitehead, Molecular Modelling for Several Systems: How the Modelling Ideas Aided Experimental Research, Proceedings of the First Applied Pulp & Paper Molecular Modelling Symposium, Cascades Ltd.(2006), 23–48.

Gaudreault, R., van de Ven, T.G.M.; Whitehead, M.A., Mechanisms of Flocculation with Poly (ethylene oxide) and Novel Cofactors: Theory and Experiment, Colloids & Surfaces A, (2005), 268(1), 131-146.

Gaudreault, R., van de Ven, T.G.M., Whitehead, M.A., “Salt Necessary for PEO-Cofactor Association: The role of Molecular Modelling in PEO Flocculation Mechanisms”, Proceedings of the First Applied Pulp & Paper Molecular Modelling Symposium, Cascades Ltd. (2006), 155-193.

Gaudreault, R.; van de Ven, T.G.M.; Whitehead, M.A., Mechanisms of Flocculation of Microcrystalline Cellulose by Poly (ethylene oxide) and Cofactor Corilagin, The 13th FRC Symposium, Robinson College, Cambridge, (2005), 1269-1292.

Gaudreault, R., van de Ven, T.G.M., Whitehead, M.A., A Theoretical Study of the Interactions of Water with Gallic Acid and a PEO/TGG Complex, Molecular Simulation, (2006) 32(1), 17-27.

Gaudreault, R.; van de Ven, T.G.M.; Whitehead, M.A., Theoretical Studies of the Interactions Between Complex Molecules in the Gas Phase, J. Phys. Chem. A,  March 16, (2006), 3692-3702.

Felaniaina Rakotondradany, Alison Palmer, Violeta Toader, Bingzhi Chen, M.A. Whitehead and Hanadi F. Sleiman, Hydrogen-Bond Self-Assembly of DNA-Analogues into Hexameric Rosettes, Chemical Communications, (2005), 43, 5441–54. 

M.A.Whitehead, Pulp and Paper Enters the 21st. Century, Canadian Chemical News, (2005) 57,10,26-27

Hourani, R.; Kakkar, A.K.; Whitehead M.A., 3,5-Dihydroxybenzylalcohol Based Dendrimers: Structure Evaluation and Molecular Encapsulation in Generations 1-5, J. Mater. Chem., (2005), 15, 2106.

M.A. Whitehead, Adam Dickie and Ashok Kakkar, Theoretical Calculation of Self-Assembled Alkynyl Thin Films, J.Mol. Struct., (THEOCHEM), (2005) 723, 111-122.

M.A.Whitehead, Cecile Malardier-Jugroot and Theo. T.G.M. van de Ven, Linear conformation of Poly(styrene-alt-maleic anhydride) capable of self-assembly: A result of Chain Stiffening by Hydrogen Bonds, J. Phys. Chem.B. (2005), 109(15), 7022-7032.

M.A.Whitehead, Adam Dickie, Florence E.A.Quist and Ashok Kakkar, Templated Crystallization of Octadecanol on Patterned Nanoassemblies, Langmuir,(2004), 20, 4315-4317.

M.A.Whitehead, Theo van de Ven and Cecile Malardier-Jugroot, Study of the water conformation around hydrophilic and hydrophobic parts of stryene-maleic anhydride, Journal of Molecular Structure: THEOCHEM. (2004), 679, 171-177.

M.A.Whitehead, Robert G.A.R.Maclagan, Cecile Malardier-Jugroot, Michael Lever, Theoretical Studies of the Interaction of Water with Compensatory and Noncomponsatory Solutes for Proteins, J. Phys. Chem. A (2004), 108, 2514-2519.

M.A.Whitehead, H.F.Sleiman, Anne-Marie Lebuis and Felaniaina Rakotondradany, Photoresponsive Supramolecular Systems: Self-Assembly of Azodibenzoic Acid Linear Tapes and Cyclic Tetramers,  Chem. Eur.J. (2003), 9, 4771.

M.A.Whitehead, A.C.Spivey and Cecile Marlardier-Jugroot, Study of the influence of the non-pyridyl nitrogen hybridization on the stability of axially chiral analogues of DMAP, J.Mol.Struct.(THEOCHEM), (2003), 623, 263-276.

M.A.Whitehead, A.K.Kakkar and Adam J.Dickie, Molecular Modelling of Monolayer Structures: unnatural Symmetry units, Surface Bonding and Topochemical Polymerisation,  Can. J. Chem., (2003), 81, 1228-1240.

Gaudreault, R.; van de Ven, T.G.M.; Whitehead, M.A., "Molecular
Modeling of Poly(ethylene oxide) Model Cofactors: 1,3,6-tri-O-galloyl--D-glucose and corilagin",  J. Mol. Model., 2002, 8, 73-80.

M.A.Whitehead, A.K.Kakkar and Adam J.Dickie, Molecular Molecular Modelling of Self-Assembled Alkynyl Thin films: Elucidation of monolayer structure from small caculated symmetry units, Langmuir, (2002), 18, 5657.

M.A.Whitehead, Theo G.M.van de Ven and Roger Gaudreault, Molecular Modelling of poly(ethylene oxide) model cofactors; 1,3,6-tri-galloyl-β-D-glucose and corilagin, J.Mol.Model. (2002), 8, 73-80.

M.A.Whitehead, Alan C.Spivey, Patrick Charbonneau Tomasz, Detlwev H.Hochmuth, Adrian Maddaford, Cecile Marlardier-Jugroot and Alison J.Redgrave, Energy Barriers to Rotation in Avially Chiral Analogues of 4-(Dimethylamino)pyridine, J.Org.Chem.,(2001), 66, 7394-7401.

M.A. Whitehead, F. Rakotondradany, C.I. Williams and B.J. Jean-Claude, Semi-empirical PM3 treatment of diaryl and dialkyl triazene decomposition in acid media, J.Mol.Struct.(Theochem), (2001), 535, 217-234.

M.A. Whitehead, C. Karvellas, C.I. Williams, and B.J. Jean-Claude Semi-empirical treatment of intramolecular nitrogen heterocyclic triazenes ring closure, J.Mol.Struct.(Theochem), (2001), 535, 199-215