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Wilfrid Laurier University Leaf
May 25, 2013
 
 
Canadian Excellence

Refereed Journal Articles since 2003



 

1. Quantum chemical calculations on solvation effects for selected photoreactive aromatic organic molecules of atmospheric relevance. Casey, Gregory; Wentworth, Gregory R; Hamilton, I P; Al-Abadleh, Hind A, Computational and Theoretical Chemistry (in press).

2. Insights into the Surface Complexation of Dimethylarsinic Acid on Iron (Oxyhydr)oxides from ATR-FTIR Studies and Quantum Chemical Calculations. Adamescu, Adrian; Mitchell, William; Hamilton, I P; Al-Abadleh, Hind A, Environmental Science and Technology (in press).

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

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

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

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

7. Fisher-information and kinetic-energy functionals: A dequantization approach. Hamilton, I P; Mosna, R A, Journal of Computational and Applied Mathematics 2010, v. 233, p. 1542-1547.

8. Pulsed corona discharge for oxidation of gaseous elemental mercury. Ko, Kyung Bo; Byun, Youngchul; Cho, Moohyun; Namkung, Won; Hamilton, I P; Shin, Dong Nam; Koh, Dong Jun; Kim, Kyoung Tae, Applied Physics Letters 2008 v. 92, 052101 (3 p).

9. Convergence of the many-body expansion of interaction potentials -- From van der Waals to covalent and metallic systems. Hermann, Andreas; Krawczyk, Robert P; Lein, Matthias; Schwerdtfeger, Peter; Hamilton, I P; Stewart, James J P, Physical Review A 2007 v. 76, n. 1, 013202 (10 p).

10. Classical kinetic energy, quantum fluctuation terms and kinetic energy functionals. Hamilton, I P; Mosna, R A; Delle Site, L, Theoretical Chemistry Accounts 2007 v. 118, n. 2, p. 407-415.

11. Insight into the chemical reaction of CH2OH with NO: Formation of N-hydroxy formamide as an isocynic acid precursor. Shin, D N; Koh, D J; Kim, K T; Hamilton, I P, Catalysis Today 2007 v. 119, n. 1-4, p. 209-213.

12. Quantum-classical correspondence for the kinetic energy. Hamilton, I P; Mosna, R A; Delle Site, L, Lecture Series on Computer and Computational Sciences 2006 v. 17B, p. 1031-1034.

13. Variational approach to dequantization. Mosna, R A; Hamilton, I P; Delle Site, L, Journal of Physics A 2006 v. 39, n. 14, p. L229-L235.

14. Complexes of small neutral gold clusters and hydrogen sulphide:  a theoretical study.  Li,  G P;   Hamilton, I P, Chemical Physics Letters 2006 v. 420, n. 4-6, p. 474-479.

15. Quantum-classical correspondence via a deformed kinetic operator. Mosna, R A; Hamilton, I P; Delle Site L, Journal of Physics A 2005, v. 38, n. 17, p. 3869-3878.

16. Infrared and Raman spectra of small cationic gold clusters and H2S: a theoretical study. Li, G P; Hamilton, I P, Canadian Journal of Analytical Sciences and Spectroscopy 2004, v. 49, n. 5. p 320-325.

17. Complexes of cationic coinage metal clusters Mn+ (M = Cu, Ag, Au; n = 1--4) and H2S. Hamilton, I P, Chemical Physics Letters 2004, v. 390, n. 4-6, p. 517-521.

18. The HF2--CH3CH2OH complex: a theoretical study. Hamilton, I P; Li, G P Chemical Physics Letters 2003, v. 381, n. 5-6, p. 623-7.

19. Mechanisms for the ozonolysis of ethene and propene: Reliability of quantum chemical predictions. Chan, Wai-To; Hamilton, I P, Journal of Chemical Physics 2003, v.118, n. 4, p. 1688-1701.

20. The HF2--(H2O)2 complex: A theoretical study. Li, G P; Hamilton, I P, Chemical Physics Letters 2003, v. 368, n. 1-2, p. 236-241.