Site Accessibility Statement
Wilfrid Laurier University Leaf
February 1, 2015
Canadian Excellence

Publications since 2010

Book Chapters

I.P. Hamilton (2014) "Towards the Information-theoretic Construction of an Orbital-free Kinetic-energy Functional", Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View, Springer (Editors: L. Delle Site and V.Bach).

I.P. Hamilton, R.A. Mosna, L. Delle Site (2013) "Dequantization, Information Theory and Kinetic-Energy Functionals" Recent Progress in Orbital-Free Kinetic Energy Functionals, World Scientific (Editors: A. Wang and T. Wesowski).

Journal Articles

Xiao-Jing Liu, Ian P. Hamilton (2014) "Helical Gold Nanorods as Chiral Recognition Nanostructures: A Relativistic Density Functional Theory Study," Journal of the American Chemical Society, 136, 17757-17761. 

Xiao-Jing, Ian Hamilton (2014) "Adsorption of Small Molecules on Helical Gold Nanorods: A Relativistic Density Functional Theory Study, Journal of Computational Chemistry, 35, 1967-1976.

Adrian Adamescu, I.P. Hamilton, Hind A. Al-Abadleh (2014) "Density Functional Theory Calculations on the Complexation of p-Arsanilic Acid with Hydrated Iron Oxide Clusters: Structures, Reaction Energies, and Transition States," Journal of Physical Chemistry A, 118, 5667-5679.

Youngchul Byun, Ian P. Hamilton, Xin Tu, Dong Nam Shin (2014) "Formation of chlorinated species through reaction of SO2 with NaClO2 powder and their role in the oxidation of NO and Hg0," Environmental Science and Pollution Research, 21, 8052-8058.

S.C. Smith, I.P. Hamilton (2013) "Hydrogen atom transfer in alkane thiol-gold cluster complexes: A density functional theory study," Computational and Theoretical Chemistry, 102, 171-176.

SeyedAbdolreza Sadjadi, Chérif Matta, I.P. Hamilton (2013) "Chemical bonding in groups 10, 11, and 12 transition metal homodimers: An electron density study," Canadian Journal of Chemistry, 91, 583-590.

Jesús Vigo-Aguiar, Ian Hamilton, Stephen Gray (2012) "Computer Science and Mathematics for Chemistry-related Applications," Journal of Mathematical Chemistry, 50, 379-380.

Xiao-Jing Liu, Ian Hamilton, Robert P. Krawczyk, Peter Schwerdtfeger (2012) "The Stability of Small Helical Gold Nanorods: A Relativistic Density Functional Study," Journal of Computational Chemistry, 33, 311-318.

Gregory Casey, Gregory R. Wentworth, I. P. Hamilton, Hind A. Al-Abadleh (2011) "Quantum Chemical Calculations on Solvation Effects for Selected Photoreactive Aromatic Organic Molecules of Atmospheric Relevance," Computational and Theoretical Chemistry", Journal of Theoretical and Computational Chemistry, 965, 346-352.

Adrian Adamescu, I.P. Hamilton, Hind A. Al-Abadleh (2011) "Thermodynamics of Dimethylarsinic Acid and Arsenate Interactions with Hydrated Iron-(oxyhydr)oxide Clusters: DFT Calculations," Environmental Science and Technology, 45, 10438-10444.

S. Sadjadi, C.F. Matta, K.H. Lemke, I.P. Hamilton (2011) "Relativistic-consistent electron densities of the coinage metal clusters M2, M4, M4(2-), and M4Na2 (M = Cu, Ag, Au): a QTAIM study," Journal of Physical Chemistry A, 115, 13024-13035.

Kyung Bo Ko, Youngchul Byun, Moohyun Cho, Won Namkung, I. P. Hamilton, Dong Nam Shin, Dong Jun Koh, Kyoung Tae Kim (2010) "Influence of gas components on the oxidation of elemental mercury by positive pulsed corona discharge," Main Group Chemistry, 7, 191-204.

L.M. Ghiringhelli, L. Delle Site, R.A. Mosna, I.P.Hamilton (2010) "Information-theoretic approach to kinetic-energy functionals: The nearly uniform electron gas," Journal of Mathematical Chemistry, 48, 78-82.

Xiao-Jing Liu, I.P. Hamilton, Ke-Li Han, Zi-Chao Tang (2010) "Experimental and Theoretical Studies on Activation of the C-H Bond in Pyridine by [Mm]- (M=Cu, Ag, Au, m=1-3)," Physical Chemistry Chemical Physics, 12, 10602-10609.

Adrian Adamescu, William Mitchell, Ian Hamilton, Hind A. Al-Abadleh (2010) "Insights into the Surface Complexation of Dimethylarsinic Acid on Iron (oxyhydr)Oxides from ATR-FTIR Studies and Quantum Chemical Calculations," Environmental Science and Technology, 44, 7802-7807.

Adrian Adamescu, Holly Gray, Katherine M.E. Stewart, I.P. Hamilton, Hind A. Al-Abadleh (2010) "Trends in the frequencies of v(AsOxHx-1) [x = 2-4] in selected As(V)-containing compounds investigated using quantum chemical calculations," Canadian Journal of Chemistry, 88, 65-77.

Pedro Alonso, Ian Hamilton, Jesús Vigo-Aguiar (2010) "Mathematical and Computational Methods with Applications in Chemistry and Physics," Journal of Mathematical Chemistry, 48, 95-97.

I.P. Hamilton, R.A. Mosna (2010) "Fisher-information and kinetic-energy functionals: A dequantization approach," Journal of Computational and Applied Mathematics, 233, 1542-1547.

L. Ghiringhelli, I.P. Hamilton, L. Delle Site (2010) "Interacting electrons, spin statistics and, and information theory," Journal of Chemical Physics, 132, 014106 (8p).