Publications
17. Almatarneh, MH; Abu-Saleh AAA; Uddin, KM; Poirier, RA; Warburton, PL
A computational mechanistic study of the deamination reaction of melamine
International Journal of Quantum Chemistry, 117: 180-189, Nov 2016
16. Uddin, KM; Henry, DJ; Poirier, RA; Warburton, PL
Calculated bond dissociation energies and enthalpy of formation of alpha-amino acid radicals
Theoretical Chemistry Accounts, 135: 224, Sept 2016
15. Besaw, JE; Warburton, PL; Poirier, RA
Atoms and bonds in molecules: topology and properties
Theoretical Chemistry Accounts, 134: 117, Oct 2015
14. Moghaddam, RB; Ali, OY; Javashi, M; Warburton, PL; Pickup, PG
The effect of conducting polymers on formic acid oxidation at Pt nanoparticles
Electrochimica Acta, 162: 230-236, Apr 2015
13. Antal, Z; Warburton, PL; Mezey, PG
Electron density shape analysis of a family of through-space and through-bond interactions
Physical Chemistry Chemical Physics, 16: 918-932 Jan 2014
12. Uddin, KM; Flinn, CG; Poirier, RA; Warburton, PL
Comparative computational investigation of the reaction mechanism for the hydrolytic deamination of cytosine, cytosine butane dimer and 5,6 saturated cytosine analogues
Computational and Theoretical Chemistry, 1027: 91-102 Jan 2014
11. Uddin, KM; Warburton, PL; Poirier, RA
Comparisons of computational and experimental thermochemical properties of α-amino acids
Journal of Physical Chemistry B, 116: 3220–3234 Feb 2012
10. Warburton, PL; Poirier, RA; Nippard, D
Atoms and bonds in molecules from radial densities
Journal of Physical Chemistry A, 115: 852-867 Feb 2011
9. Warburton, PL; Wang, JL; Mezey, PG
On the balance of simplification and reality in molecular modeling of the electron density
Journal of Chemical Theory and Computation, 4: 1627-1636 Sept 2008
8. Wang, L; Warburton, PL; Szekeres, Z; Surjan, P; Mezey, PG
Stability and properties of polyhelicenes and annelated fused-ring carbon helices: Models toward helical graphites
Journal of Chemical Information and Modeling, 45: 850-855 July 2005
7. Wang, LJ; Warburton, PL; Mezey, PG
A theoretical study of nitrogen-rich phosphorus nitrides P(Nn)m
Journal of Physical Chemistry A, 109: 1125-1130 Feb 2005
6. Wang, LJ; Warburton, PL; Mezey, PG
Theoretical prediction on the synthesis reaction pathway of N6 (C2h)
Journal of Physical Chemistry A, 106: 2748-2752 Feb 2002
5. Wang, LJ; Li, QS; Warburton, PL; Mezey, PG
Possible reaction pathway of HN3 + N5+ and stability of the products’ isomers
Journal of Physical Chemistry A, 106: 1872-1876 Feb 2002
4. Mezey, PG; Warburton, P; Jako, E; Szekeres, Z
Dimension concepts and reduced dimensions in toxicological QShAR databases as tools for data quality assessment
Journal of Mathematical Chemistry, 30: 375-387 Nov 2001
3. Mezey, PG; Zimpel, Z; Warburton, P; Walker, PD; Irvine, DG; Huang, X-D; Dixon, DG; Greenberg, BM
Use of quantitative shape-activity relationships to model the photoinduced toxicity of polycyclic aromatic hydrocarbons: Electron density shape features accurately predict toxicity
Environmental Toxicology and Chemistry, 17: 1207-1215 Jul 1998
2. Mezey, PG; Zimpel, Z; Warburton, P; Walker, PD; Irvine, DG; Dixon, DG; Greenberg, BM
A high-resolution shape-fragment MEDLA database for toxicological shape analysis of PAHs
Journal of Chemical Information and Modeling, 36: 602-611 May 1996
1. Stathakis, C; Warburton, PL; Cassidy, RM
Capillary electrophoretic separation of anticoagulant rodenticides in aqueous electrolytes modified with organic solvents
Journal of Chromatography A, 659: 443-447 January 1994