Pye , Cory - St. Mary's University - Department of Chemistry

个人简介

B.Sc. (Joint Honours in Chemistry/Applied Mathematics, Memorial University of Newfoundland, St. John's, Newfoundland, Canada, 1988-1992) Ph.D. (Memorial University of Newfoundland, St. John's, Newfoundland, Canada, 1992-1997, under supervision of Raymond A. Poirier) PDF (The University of Calgary, Calgary, Alberta, Canada,1997-1999, with Tom Ziegler)

研究领域

ab initio and density functional theory; solvation effects; hydration

近期论文

查看导师最新文章（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）

T. Ramnial, S. A. Taylor, M. L. Bender, B. Gorodetsky, P. T. K. Lee, D. A. Dickie, B. M. McCollum, C. C. Pye , C. J. Walsby, J. A. C. Clyburne, ``Carbon-centered strong bases in phosphonium ionic liquids'', J. Org. Chem., 73, 801-812 (2008). K. G. Doucet, C. C. Pye , T. G. Enright, ``An exploratory ab initio study of the SN2 reaction of 1,3,3-trimethyltriazene with halide ions'', Can. J. Chem., 85, 958-963 (2007). C. C. Pye , C. M. Gunasekara, W. W. Rudolph, “An ab initio study of bismuth hydration'', Can. J. Chem., 85, 945-950 (2007). K. G. Doucet, C. C. Pye , T. G. Enright, “An ab initio study of the SN2 reaction of 1,3- and 3,3-dimethyltriazene with halide ions'', J. Mol. Struct. (Theochem) , 821 , 166-170 (2007). C. C. Pye , C. R. Corbeil, W. W. Rudolph, “An ab initio study of zinc chloro complexes”, Phys. Chem. Chem. Phys . , 8, 5428-5436 (2006). K. G. Doucet, C. C. Pye , K. Vaughan, T. G. Enright, “An ab initio study of the SN2 reaction of 1- and 3-methyltriazene with halide ions”, J. Mol. Struct. (Theochem), 801, 21-28 (2006). C. C. Pye , M. R. Tomney, W. W. Rudolph, “Cadmium hydration: Hexacoordinate or heptacoordinate?”, Can. J. Anal. Sci. Spect., 51, 140-146 (2006). C. C. Pye *, “On the solution of the quantum rigid rotor”, J. Chem. Educ., 83, 460-463 (2006). C. C. Pye *, R. A. Poirier, “An ab initio study of 1,5-suprafacial rearrangements in 5-substituted 1,3-cyclopentadienes”, Can. J. Chem.,83, 1299-1305 (2005). C. C. Pye *, M. R. Tomney, T. G. Enright, “An ab initio investigation of lithium ion hydration. III. Revisiting hydration and the halide ion pairs”, Can. J. Anal. Sci. Spect., 50, 254-263 (2005). C. C. Pye *, M. R. Michels, “An ab initio investigation of dihydrogen phosphate ion hydration”, Can. J. Anal. Sci. Spectrosc., 50, 70-86 (2005). V. Walker*, C. C. Pye , “An ab initio Investigation of the hydration of VO43-, HVO42- , and V2O74-”, oral presentation at the Atlantic Theoretical Chemistry Symposium, Cape Breton University, Sydney, NS, August 13-15, 2008. T. Chiome*, C. C. Pye , “An ab initio Investigation of the hydration of HAsO42-”, oral presentation at the Atlantic Theoretical Chemistry Symposium, Cape Breton University, Sydney, NS, August 13-15, 2008. V. Walker*, C. C. Pye , “An ab Initio Investigation of the Hydration of AsO43-·(H2O)n; SeO42-·(H2O)n; BrO4-·(H2O)n; and VO43-·(H2O)n where n=0-6”, poster presentation at Atlantic Student Chemistry Conference, Saint Mary's University, Halifax, NS, May 8-10, 2008. Winner of best undergraduate physical chemistry poster and the AIMMS award for best oral or poster presentation in the computational study of materials. C. C. Pye *, W. W. Rudolph, “An ab initio and Raman study of lithium-sulfate ion pairs”, oral presentation at 90th CSC Conference, Winnipeg Convention Centre, Winnipeg, MB, May 26-30, 2007. C. C. Pye *, J. N. Louwen, “Improvements to a solvation model in the ADF package”, oral presentation at 90th CSC Conference, Winnipeg Convention Centre, Winnipeg, MB, May 26-30, 2007. K. G. Doucet, T. G. Enright, C. C. Pye *, “An ab initio study of the SN2 reaction of methyl-substituted triazenes”, oral presentation at 90th CSC Conference, Winnipeg Convention Centre, Winnipeg, MB, May 26-30, 2007. Katherine G. Doucet, Cory C. Pye , “Configurations & SN2 Mechanisms of Dacarbazine and Its Structural Analogues: Systematic computational configurational and bimolecular nucleophilic substitution reaction mechanism studies of Dacarbazine; a triazene containing anti-neoplastic agent, and its structural analogues”, poster presentation at 90th CSC Conference, Winnipeg Convention Centre, Winnipeg, MB, May 26-30, 2007. C. C. Pye *, W. W. Rudolph, “Raman and ab initio study of oxalate hydration in aqueous solution”, poster presentation at 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006. C. C. Pye *, M. R. Tomney, W. W. Rudolph, “Cadmium hydration: Hexacoordinate, heptacoordinate, or both?”, poster presentation at 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006. C. C. Pye *, W. W. Rudolph, “Raman and ab initio study of beryllium hydration in aqueous solution”, poster presentation at 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006. C. C. Pye , “On the solution of the associated Legendre equation”, oral presentation at 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006. C. C. Pye , C. J. Mercer*, “Development of STO-NG basis sets for Z>54”, poster presentation at 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006. C. C. Pye , V. R. Little, Y. Tian, C. Fan*, W. W. Rudolph, “Raman and ab initio study of the hydration of carbonate and hydrogen carbonate in aqueous solution”, poster presentation at (a) Atlantic Student Chemistry Conference, Mount Allison University, Sackville NB, May 18-20, 2006. (b) 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006. C. C. Pye , K. G. Doucet*, K. Vaughan, J. F. Glister, “An ab initio study of 5-(1-triazenyl)imidazole, a simple structural analogue of the antineoplastic agent Dacarbazine”, poster presentation at (a) Atlantic Student Chemistry Conference, Mount Allison University, Sackville NB, May 18-20, 2006. (b) 89th CSC Conference, World Trade and Convention Centre, Halifax, NS, May 27-31, 2006.