近期论文

查看导师新发文章 （温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

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 Uddin, KM; Henry, DJ; Poirier, RA; Warburton, PL Calculated bond dissociation energies and enthalpy of formation of α‑amino acid radicals, Theoretical Chemistry Accounts, 135: 224, Sept 2016 Besaw, JE; Warburton, PL; Poirier, RA Atoms and bonds in molecules: topology and properties Theoretical Chemistry Accounts, 134: 117, Oct 2015 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 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 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 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 Warburton, PL; Poirier, RA; Nippard, D Atoms and bonds in molecules from radial densities Journal of Physical Chemistry A, 115: 852–867 Feb 2011 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 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 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 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 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 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 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 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 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