Scholarly and Professional Work

Peer-Reviewed Publications


    2012
  1. N. A. Giffin, A. D. Hendsbee, T. L. Roemmele, M. D. Lumsden, C. C. Pye, J. D. Masuda*, ``Preparation of a Diphosphine with persistent phosphinyl radical character in solution: Characterization, reactivity with O2, S8, Se, Te, and P4, and electronic structure calculations'', Inorg. Chem., 51, 11837-11850 (2012).
  2. A. D. Hendsbee, N. A. Giffin, Y. Zhang, C. C. Pye and J. D. Masuda*, ``Lewis Base Stabilized Oxo-Phosphonium Ions'', Angew. Chem. Int. Ed. , 51, 10836-10840 (2012).
  3. C. C. Pye*, C. J. Mercer, ``On the Least-Squares Fitting of Slater-Type Orbitals with Gaussians: Reproduction of the STO-NG Fits using Microsoft Excel and Maple'', J. Chem. Educ., 89, 1405-1410 (2012).
  4. P. Y. Liu, Y.-J. Wu, C. C. Pye, P. D. Thornton, R. A. Poirier, D. J. Burnell*, ``Facial Selectivity in the Diels-Alder Reactions of 2,2-Disubstituted Cyclopent-4-ene-1,3-dione Derivatives and a Computational Examination of the Facial Selectivity of the Diels-Alder Reactions of Structurally Related Dienes and Dienophiles'', Eur. J. Org. Chem. , 1186-1194 (2012)
    2011
  5. C. C. Pye*, S. M. Black, W. W. Rudolph, ``An ab initio investigation of zinc bromo complexes'', J. Sol. Chem. , 40 , 1932-1954 (2011)
  6. C. C. Pye*, V. E. J. Walker, ``Ab initio investigation of the hydration of the tetrahedral perchlorate, perbromate, selenate, arsenate, and vanadate anions'', J. Phys. Chem. A , 115 , 13007-13015 (2011)
  7. C. C. Pye*, ``An analysis of SCF and geometry convergence for diatomic molecules'', Cent. Eur. J. Chem. , 9 , 567-571 (2011).
  8. N. A. Giffin, M. Makramalla, A. D. Hendsbee, K. N. Robertson, C. Sherren, C. C. Pye, J. D. Masuda*, J. A. C. Clyburne*, ``Anhydrous TEMPO-H: Reactions of a good hydrogen atom donor with low valent carbon centres'', Org. Biomol. Chem. , 9 , 3672-3680 (2011).
  9. N. D. Harper, K. D. Nizio, A. D. Hendsbee, J. D. Masuda, K. N. Robertson, L. J. Murphy, M. B Johnson, C. C. Pye and J. A. C. Clyburne*, ``A survey of carbon dioxide capture in phosphonium-based ionic liquids and end-capped polyethylene glycol using DETA (DETA = diethylenetriamine) as a model absorbent'', Ind. Eng. Chem. Res., 50 , 2822-2830 (2011).
    2010
  10. G. B Kok, C. C. Pye, R. D. Singer, and P. J. Scammells*, ``Efficient Two-step Iron(0)-mediated Polonovski-type N-Demethylation of tertiary N-Methyl Alkaloids'', J. Org. Chem., 75 , 4806-4811 (2010).
  11. C. C. Pye*, J. F. Glister, K. G. Doucet, ``An ab initio study of model triazene-based anticancer agents'', Can. J. Chem., 88, 709-715 (2010).
  12. J. Kiefer*, C. C. Pye ``Structure of the room temperature ionic liquid 1-hexyl-3-methylimidazolium hydrogen sulfate: Conformational isomerism'', J. Phys. Chem. A, 114, 6713-6720 (2010).
  13. I. S. MacIntosh, C. N. Sherren, K. N. Robertson, J. D. Masuda, C. C. Pye, J. A. C. Clyburne*, ``Isolation and structures of two novel organozinc anions from solutions rich in halide ions'', Organometallics, 29 , 2063-2068 (2010).
    2009
  14. C. C. Pye, ``An ab initio study of beryllium(II) hydration'', J. Mol. Struct. (Theochem) , 913 , 210-214 (2009)
  15. W. W. Rudolph*, D. Fischer, G. Irmer, C. C. Pye, ``Hydration of Be2+ in aqueous solutions of simple inorganic salts. A combined vibrational spectroscopic and ab initio study'', Dalton Trans. , 6513-6527 (2009)
  16. C. C. Pye*, R. A. Poirier, D. J. Burnell, D.Klapstein, ``An ab initio study of 5,6-disubstituted 1,3-cyclohexadienes'', J. Mol. Struct. (Theochem), 909, 66-74 (2009).
  17. A. D. Hendsbee, C. C. Pye, J. D. Masuda*, ``Hexaaquagallium(III) trinitrate trihydrate'', Acta. Cryst. E, 65, i65 (2009).
  18. C. C. Pye*, T. Ziegler, E. van Lenthe, J. N. Louwen*, ``An implementation of the conductorlike screening model of solvation within the Amsterdam Density Functional package. Part II. COSMO for real solvents'', Can. J. Chem. , 87, 790-797 (2009).
    2008
  19. 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).
    2007
  20. 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).
  21. C. C. Pye, C. M. Gunasekara, W. W. Rudolph, ``An ab initio study of bismuth hydration'', Can. J. Chem., 85, 945-950 (2007).
  22. 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).
    2006
  23. C. C. Pye, C. R. Corbeil, W. W. Rudolph, ``An ab initio investigation of zinc chloro complexes'', Phys. Chem. Chem. Phys. , 8 , 5428-5436 (2006).
  24. 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).
  25. C. C. Pye, M. R. Tomney, W. W. Rudolph, ``Cadmium Hydration: Hexacoordinate or Heptacoordinate?" Can. J. Anal. Sci. Spect. , 51 , 140-146 (2006).
  26. C. C. Pye*, ``On the solution to the quantum rigid rotor'', J. Chem. Educ. , 83 , 460-463 (2006).
    2005
  27. R. A. Poirier, C. C. Pye*, ``An ab initio study of 1,5-suprafacial rearrangements in 5-substituted 1,3-cyclopentadienes.'', Can. J. Chem. , 83 , 1299-1305 (2005).
  28. C. C. Pye*, M. R. Tomney, T. G. Enright, ``An ab initio study of lithium ion hydration. III. Revisiting hydration and the halide ion pair'', Can. J. Anal. Sci. Spect. , 50 , 254-263 (2005).
  29. C. C. Pye*, M. R. Michels, ``Ab initio study of dihydrogen phosphate ion hydration'', Can. J. Anal. Sci. Spect. , 50 , 70-86 (2005).
    2004
  30. W. W. Rudolph*, D. Fischer, M. R. Tomney, C. C. Pye, ``Indium(III) hydration in aqueous solutions of perchlorate, nitrate and sulfate. Raman and Infrared spectroscopic studies and ab-initio molecular orbital calculations on indium(III) water clusters'', Phys. Chem.-Chem. Phys., , 6 , 5145-5155 (2004).
  31. C. C. Pye*, M. R. Michels, ``Ab initio study of hydrogen phosphate ion hydration'', Can. J. Anal. Sci. Spect. , 49 , 175-184 (2004).
  32. C. C. Pye*, ``Intuitive solution to quantum harmonic oscillator at infinity'', J. Chem. Educ. , 81 , 830-831 (2004).
  33. C. C. Pye*, ``Chemistry and song: a novel way to educate and entertain'', J. Chem. Educ. , 81 , 507-508 (2004).
    2003
  34. C. C. Pye*, W. W. Rudolph, ``Ab initio, infrared, and Raman study of phosphate ion hydration'', J. Phys. Chem. A , 107 , 8746-8755 (2003).
  35. M. R. Michels, T. G. Enright, M. R. Tomney, C. C. Pye*, W. W. Rudolph, ``Ab initio calculation of the effect of metal ions on the vibrational spectrum of water'', Can. J. Anal. Sci. Spectrosc. , 48 , 64-76 (2003).
  36. E. A. Turner, C. C. Pye*, R. D. Singer*, ``Use of ab initio calculations towards the rational design of room temperature ionic liquids.'', J. Phys. Chem. A, 107, 2277-2288 (2003).
  37. C. C. Pye*, J. D. Xidos, D. J. Burnell, R. A. Poirier, ``An ab initio study of conformations and IR spectra of 5-substituted 1,3-cyclopentadienes'', Can. J. Chem., 81, 14-30 (2003).
    2002
  38. C. C. Pye*, C. R. Corbeil, ``An ab initio study of scandium chloro complexes'', Can. J. Chem. , 80 , 1331-1342 (2002).
  39. W. W. Rudolph*, C. C. Pye, `` Gallium(III) hydration in aqueous solution of perchlorate, nitrate, and sulfate: Raman and 71-Ga NMR spectroscopic studies and ab initio molecular orbital calculations of gallium(III) water clusters'', Phys. Chem. Chem. Phys. , 4, 4319-4327 (2002).
  40. C. C. Pye*, K. Vaughan, J. F. Glister, ``An ab initio study of conformations and sigmatropic shifts in triazene and its mono-, di- and trimethyl derivatives'', Can. J. Chem. , 80 , 447-454 (2002).
  41. W. W. Rudolph*, C. C. Pye, G. Irmer, `` Study of gallium(III) nitrate hydrate and aqueous solution: Raman Spectroscopy and ab initio molecular orbital calculations of gallium(III) water clusters'', J. Raman Spectrosc. , 33 , 177-190 (2002).
    2001
  42. K. Vanka, M. S. W. Chan, C. C. Pye, T. Ziegler*, ``Exploring the activation of olefin polymerisation catalysts with density functional theory'', Macromol. Symp. , 173 , 163-177 (2001)
  43. C. C. Pye*, W. W. Rudolph, ``An ab initio and Raman investigation of sulfate ion hydration'', J. Phys. Chem. A, 105 , 905-912 (2001)
    2000
  44. W. W. Rudolph* and C. C. Pye, ``Aluminum(III) hydration in aqueous solution: A Raman spectroscopic investigation and and ab initio molecular orbital study'', Phys. Chem.-Chem. Phys. , 2 , 5030-5040 (2000)
  45. W. W. Rudolph* and C. C. Pye, `` Aqueous solution chemistry of scandium(III) studied by Raman spectroscopy and ab initio molecular orbital calculations'', J. Sol. Chem. , 29 , 955-986 (2000)
  46. K. Vanka, M. S. W. Chan, C. C. Pye, T. Ziegler*, ``Density functional study of ion-pair formation and dissociation in the reaction between boron and aluminum based Lewis acids with (1,2-Me2Cp)2ZrMe2'', Organometallics , 19 , 1841-1849 (2000)
  47. W. W. Rudolph* and C. C. Pye, ``Raman spectroscopic and ab initio molecular orbital studies of scandium(III) hydration in aqueous solution: Does Sc(III) occur as a hexahydrate?'', J. Phys. Chem. A , 104 , 1627-1639 (2000)
  48. C. C. Pye*, ``An ab initio investigation of lithium ion hydration. II. tetra- versus hexacoordination and halide complexes'', Int. J. Quant. Chem., 76 , 62-76 (2000)
    1999
  49. M. S. W. Chan, K. Vanka, C. C. Pye, T. Ziegler*, ``Density functional study on activation and ion-pair formation in group IV metallocene and related olefin polymerization catalysts'', Organometallics , 18 , 4624-4636 (1999)
  50. W. W. Rudolph*, C. C. Pye, ``Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study of zinc(II) water clusters'', J. Sol. Chem. , 28 , 1045-1070 (1999)
  51. W. W. Rudolph*, C. C. Pye, ``Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study'', Phys. Chem.-Chem. Phys. , 1 , 4583-4594 (1999)
  52. C. C. Pye* and T. Ziegler, ``An implementation of the conductorlike screening model (COSMO) of solvation within the Amsterdam density functional (ADF) package.'', Theor. Chem. Acc. , 101 , 396-408 (1999)
  53. W. W. Rudolph*, C. C. Pye, ``Hydration of cadmium(II) in aqueous perchlorate solution: A Raman and ab initio approach'', Z. Phys. Chem. , 209 , 243-258 (1999)
    1998
  54. C. C. Pye*, W. W. Rudolph, ``An ab initio and Raman investigation of magnesium(II) hydration'', J. Phys. Chem. A , 102 , 9933-9943 (1998)
  55. W. W. Rudolph*, C. C. Pye, ``Raman spectroscopic measurements and ab initio molecular orbital studies of cadmium (II) hydration in aqueous solution'', J. Phys. Chem. B, 102, 3564-3573 (1998)
  56. C. C. Pye*, R. A. Poirier, ``Graphical approach for defining natural internal coordinates'', J. Comput. Chem. , 19, 504-511 (1998)
  57. J. D. Xidos, R. A. Poirier*, C. C. Pye, and D. J. Burnell*, ``An ab initio study of facial selectivity in the Diels-Alder reaction'', J. Org. Chem. , 63, 105-112 (1998)
    1997
  58. C. C. Pye, J. D. Xidos, R. A. Poirier*, D. J. Burnell*, ``Examination of the valence tautomers benzene oxide and oxepin and two derivative systems by ab initio methods'', J. Phys. Chem. A , 101 , 3371-3376 (1997)
    1996
  59. C. C. Pye*, W. Rudolph, R. A. Poirier ,``An ab initio investigation of lithium ion hydration'', J. Phys. Chem., 100, 601-605 (1996)
    1995
  60. R. A. Poirier*, C. C. Pye, J. D. Xidos, D. J. Burnell*, ``The origin of facial selectivity in the Diels-Alder reactions of 5-substituted 1,3-cyclopentadienes'', J. Org. Chem., 60, 2328-2329 (1995)
  61. W. Rudolph*, M. H. Brooker, C. C. Pye, ``Hydration of lithium ion in aqueous solutions'', J. Phys. Chem., 99, 3793-3797 (1995)
    1994
  62. C. C. Pye, R. A. Poirier*, D. Yu, P. R. Surjan, ``Ab initio Hartree-Fock calculations of the interaction energy of bimolecular complexes'', J. Mol. Struct. (Theochem), 307, 239-259 (1994)

Non-Peer-Reviewed Publications

  1. C. C. Pye*, ``First-time teaching: One Professor's Experience'', Teaching and Learning at Saint Marys , 12 , 10-11, Fall 2001
  2. C. C. Pye*, in ``Teaching Dossiers: A collection of portfolios written at the `Recording Teaching Accomplishment Institute' 2000'' Office of Instructional Development and Technology, Dalhousie University, Halifax, 2001, pp55-60.
  3. W. W. Rudolph*, C. C. Pye, G. Irmer. ``Raman Spectroscopic Studies of Gallium(III)- and Indium(III) in Aqueous Solutions and ab initio molecular orbital calculations of gallium(III)- and indium(III) water clusters'', in J. Mink, G. Jalsovszky, G. Keresztury (eds.), Proc. 18th Int. Conf. Raman Spectrosc., Wiley, 2002. pp 659-660.
  4. C. C. Pye*, "Tuning in to Chemistry", in Association of Science Teachers Journal, ISSN 0847-2955, June (2003).
  5. C. C. Pye, J. F. Glister, ``Ab initio study of domoic acid substructures'', in S. S. Bates (ed.), Proc. 8th Can. Workshop Harmful Marine Algae, Can. Tech. Rep. Fish. Aquat. Sci. 2498 , ISSN 0706-6457, pp 17-29.
  6. C. C. Pye*, ``Musichemistry'', Teaching and Learning at Saint Marys , 14 , 4, Fall 2003
  7. W. W. Rudolph, M. R. Michels, and C. C. Pye, ``Raman, infrared, and ab Initio investigation of HPO42-(aq)'', Proc. 19th Int. Conf. Raman Spectrosc., CSIRO, 2004, p360-361.
  8. W. W. Rudolph, D. Fischer, C. C. Pye, G. Irmer ``Raman and infrared spectroscopic investigation of In(OH2)63+(aq)'' , Proc. 19th Int. Conf. Raman Spectrosc., CSIRO, 2004, p370-371.
  9. C. C. Pye, ``Beryllium hydration in aqueous solution. II. Correlation consistent basis set calculations'', Geochim. Cosmochim. Acta, 74 (12), Suppl. 1. Goldschmidt Abstracts 2010, A836
  10. D. C. M. Whynot, J. P. Ferguson, C. C. Pye, ``An ab initio study of hydrated cobalt(II) and complexation with chloride'', Proc. 35th Ann. Stud. Conf. Can. Nucl. Soc.-Can. Nucl. Assoc., 2011.
  11. D. C. M. Whynot, C. C. Pye, ``An ab initio study of hydrated cobalt(II) hydroxy complexes'', Proc. 35th Ann. Stud. Conf. Can. Nucl. Soc.-Can. Nucl. Assoc., 2011.
  12. C. C. Pye, L. Cheng, J. P. Ferguson, K. Bissonette, L. Applegarth, J. Cox, P. R. Tremaine, ``An ab initio and Raman investigation of Ni(II) complexes'', Proc. 3rd China-Canada Joint Workshop on Supercritical Water-cooled Reactors, 2012
  13. L. Cheng, J. Ferguson, C. C. Pye, ``An ab initio investigation of hydrated Ni(II) complexes with hydroxide'', Proc. 3rd China-Canada Joint Workshop on Supercritical Water-cooled Reactors, 2012
  14. C. C. Pye, D. C. M. Whynot, L. Applegarth, J. Cox, P. Tremaine, ``An ab initio and Raman investigation of Co(II) complexes'', Proc. 3rd China-Canada Joint Workshop on Supercritical Water-cooled Reactors, 2012.
  15. L. Cheng, J. P. Ferguson, C. C. Pye, ``An ab initio study of hydrated nickel(II) hydoxy complexes'', Proc. 36th Ann. Stud. Conf. Can. Nucl. Soc.-Can. Nucl. Assoc., 2012.

Conference Presentations


    2012
  1. D. C. M. Whynot, C. C. Pye*, ``An ab initio study of iron(II) hydration and complexation with chloride'', poster presentation, Canadian Symposium for Theoretical and Computational Chemistry, University of Guelph, Guelph, ON, July 24-29, 2012.
  2. C. C. Pye*, D. C. M. Whynot, L. Applegarth, P. Tremaine, ``An ab initio and Raman investigation of Co(II) complexes in water'', oral presentation at Goldschmidt Conference, Montreal, Quebec, Jun 24-29th, 2012.
  3. L. Cheng*, J. Ferguson, C. C. Pye, ``An ab initio study of hydrated nickel(II) hydoxy complexes", poster presentation at 36th Annual Student Conference of the Canadian Nuclear Society and Canadian Nucleasr Association, Saskatoon, Saskatchewan, Jun 10-13, 2012.
  4. A. Long, B. M. McCollum, C. Pye, J.-C. Brodovitch, P. W. Percival, J. A. C. Clyburne, "Investigation into the thermally mediated rearrangement of azulene into naphthalene using muon spectroscopy", poster presentation at 37th Annual Science Atlantic/CIC Student Chemistry Conference, Cape Breton University, May 15-18th, 2012.
  5. B. L. Goodall*, C. C. Pye, "An ab initio investigation of the hydration of the d0 transition metal tetraoxo complexes: CrO42-, MnO4-, FeO4", oral presentation at 37th Annual Science Atlantic/CIC Student Chemistry Conference, Cape Breton University, May 15-18th, 2012. Murray Brooker Award for Best Undergraduate Oral or Poster Presentation in Chemical Education. (b) poster presentation, Canadian Symposium for Theoretical and Computational Chemistry, University of Guelph, Guelph, ON, July 24-29, 2012.
  6. J. Ferguson*, C. C. Pye, "An improved method for extending the STO-NG basis sets to be applied to all elements of the periodic table", oral presentation at (a) 37th Annual Science Atlantic/CIC Student Chemistry Conference, Cape Breton University, May 15-18th, 2012. CIC award for the best undergraduate oral presentation in physical, theoretical, or computational chemistry. (b) invited oral presentation, Canadian Symposium for Theoretical and Computational Chemistry, University of Guelph, Guelph, ON, July 24-29, 2012.
  7. C. C. Pye*, D. C. M. Whynot, L. Applegarth, J. Cox, P. Tremaine, "An ab initio and Raman investigation of Co(II) complexes", oral presentation at 3rd China-Canada Joint Workshop on Supercritical Water-cooled Reactors, Nanyang Hotel, Xi'an, Shaanxi, China, Apr 18-20, 2012.
  8. L. Cheng*, J. Ferguson, C. C. Pye, "An ab initio investigation of hydrated Ni(II) complexes with hydroxide", oral presentation at 3rd China-Canada Joint Workshop on Supercritical Water-cooled Reactors, Nanyang Hotel, Xi'an, Shaanxi, China, Apr 18-20, 2012.
  9. C. C. Pye*, L. Cheng, J. P. Ferguson, K. Bissonette, L. Applegarth, J. Cox, P. R. Tremaine, "An ab initio and Raman investigation of Ni(II) complexes", oral presentation at 3rd China-Canada Joint Workshop on Supercritical Water-cooled Reactors, Nanyang Hotel, Xi'an, Shaanxi, China, Apr 18-20, 2012.
    2011
  10. N. D. Harper, K. D. Nizio, A. D. Hendsbee, J. D. Masuda, K. N. Robertson*, L. J. Murphy, C. C. Pye, J. A. C. Clyburne, M. B. Johnson, "Carbon dioxide capture in phosphonium-based ionic liquids and end-capped polyethylene glycol using DETA (DETA=diethylenetriamine) as a model absorbent", poster presentation at 94th Canadian Society for Chemistry Conference, Montreal, PQ, Jun 5-9, 2011.
  11. L. M. S. G. A. Applegarth*, P. Tremaine, C. Pye, "Raman spectra and formation constants for aqueous copper(II) and copper(I) chloro-complexes from 5 to 150 °C", poster presentation at 94th Canadian Society for Chemistry Conference, Montreal, PQ, Jun 5-9, 2011.
  12. K. Bissonette*, F. Brosseau, P. Tremaine, C. Pye, "Raman spectra and formation constants for aqueous nickel chloro-complexes from 5 to 150 °C", poster presentation at 94th Canadian Society for Chemistry Conference, Montreal, PQ, Jun 5-9, 2011.
    2010
  13. D. Whynot*, C. C. Pye, "Ab initio investigation of Co(II) hydration and complexation with hydroxide and chloride", poster presentation at UNENE R&D Workshop, Delta Meadowvale, Mississauga, ON, Nov 1-3, 2010.
  14. Y. Zhang*, C. C. Pye, "Ab initio study of vanadium(V) species at low pH", (a) oral presentation at 11th Atlantic Theoretical Chemistry Symposium, Saint Mary's University, Halifax, NS, August 13-15, 2010. (b) oral presentation at 11th Annual CERMM symposium, Concordia University, Montreal, PQ Jun 4-5, 2011 (c) poster presentation at 94th Canadian Society for Chemistry Conference, Palais des Congres de Montreal, Montreal, PQ, Jun 5-9, 2011.
  15. D. Whynot*, C. C. Pye, "Ab initio study of Co(II) complexes with OH-, H2O and Cl-", (a) oral presentation at 11th Atlantic Theoretical Chemistry Symposium, Saint Mary's University, Halifax, NS, August 13-15, 2010. (b) poster presentation at 35th Annual Student Conference of the Canadian Nuclear Society and Canadian Nuclear Association, Sheraton Hotel, Niagara Falls, ON Jun 5-8, 2011.
  16. B. L. Goodall*, V. E. J. Walker, C. C. Pye, "Ab initio study of Hydrated HVO42-", (a) oral presentation at 11th Atlantic Theoretical Chemistry Symposium, Saint Mary's University, Halifax, NS, August 13-15, 2010. (b) poster presentation at 36th Annual APICS-CIC Student Chemistry Conference, University of Prince Edward Island, Charlottetown, PE, May 20-22, 2011 (c) oral presentation at 11th Annual CERMM symposium, Concordia University, Montreal, PQ Jun 4-5, 2011 (d) poster presentation at 94th Canadian Society for Chemistry Conference, Palais des Congres de Montreal, Montreal, PQ, Jun 5-9, 2011.
  17. J. Ferguson*, C. C. Pye, "Ab initio study of Co(II) complexes with H2O and Cl-", (a) oral presentation at 11th Atlantic Theoretical Chemistry Symposium, Saint Mary's University, Halifax, NS, August 13-15, 2010. (b) poster presentation at 36th Annual APICS-CIC Student Chemistry Conference, University of Prince Edward Island, Charlottetown, PE, May 20-22, 2011 (c) poster presentation at 35th Annual Student Conference of the Canadian Nuclear Society and Canadian Nuclear Association, Sheraton Hotel, Niagara Falls, ON Jun 5-8, 2011.
  18. C. C. Pye*, ``Beryllium hydration in aqueous solution. II. Correlation consistent basis set calculations'', invited oral presentation at 20th Annual Goldschmidt Conference, Knoxville Convention Center, Knoxville, Tennessee, June 13-18th, 2010.
  19. R. D. Singer*, P. U. Naik, J. Farrell, C.-L. Trider, D. K. Bucar, L. R. MacGillivray, C. C. Pye, ``Synthesis of a Bicyclic Palladacycle with an abnormal NHC palladium bond from a task specific ionic liquid'', oral presentation at 93nd CSC conference, Metro Toronto Convention Centre, Toronto, ON, May 29-June 2, 2010.
  20. C. C. Pye*, ``An ab initio study of the thermodynamics and kinetics of beryllium(II) hydrolysis'', poster presentation at 93nd CSC conference, Metro Toronto Convention Centre, Toronto, ON, May 29-June 2, 2010.
  21. I. MacIntosh, C. N. Sherren, K. N. Robertson, J. D. Masuda, C. C. Pye, J. A. C. Clyburne, ``Coordination Complexes of Organozinc reagents with Ionic Liquids'', poster presentation at 35th Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 13-15, 2010.
  22. A. Gomez*, T. Cuthbert, P. U. Naik, D.-K. Bucar, L. R. MacGillivray, R. D. Singer, ``Synthesis of a Bicyclic Palladacycle with an abnormal NHC palladium bond from a task specific ionic liquid'', poster presentation at 35th Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 13-15, 2010.
  23. J. Ferguson*, C. C. Pye, ``Ab initio study of [CoCln(H2O)m]2-n'', poster presentation at 35th Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 13-15, 2010.
  24. B. Goodall*, V. E. J. Walker, C. C. Pye, ``Ab initio study of hydrated HVO42-'', poster presentation at 35th Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 13-15, 2010.
  25. Y. Zhang*, D. C. M. Whynot*, C. C. Pye, ``Ab initio investigations of Co(II) and V(V)'', poster presentation at 2010 Atlantic Inorganic Discussion Weekend, Saint Mary's University, March 13-14, 2010.
  26. I. S. MacIntosh*, C. N. Sherren, K. N. Robertson, J. D. Masuda, C. C. Pye, J. A. C. Clyburne, ``Isolation and structure of two novel organozinc anions from solutions rich in halide ions'', poster presentation at 2010 Atlantic Inorganic Discussion Weekend, Saint Mary's University, March 13-14, 2010.
    2009
  27. C. C. Pye, W. W. Rudolph, ``An ab initio and Raman investigation of rare earth hydration'', poster presentation at 92nd CSC conference, Hamilton Convention Centre, Hamilton, ON, May 30-June 3, 2009.
  28. C. C. Pye, ``An ab initio investigation of hydrogen sulfate hydration'', poster presentation at 92nd CSC conference, Hamilton Convention Centre, Hamilton, ON, May 30-June 3, 2009.
  29. C. C. Pye*, R. A. Poirier, D. J. Burnell, D. Klapstein, ``Ab ab initio study of cis-5,6-disubstituted 1,3-cyclohexadienes'', oral presentation at (a) 9th CERMM symposium, Concordia University, Montreal, QC, May 8-10, 2009. (b) 92nd CSC conference, Hamilton Convention Centre, Hamilton, ON, May 30-June 3, 2009.
    2008
  30. W. W. Rudolph*, G. Irmer, C. C. Pye, ``Raman spectroscopic study on common aqueous La(III) and Y(III) salt solutions'', poster presentation at the 21st International Conference on Raman Spectroscopy, Uxbridge, West London, UK, August 17-22, 2008.
  31. W. W. Rudolph*, D. Fischer, G. Irmer, C. C. Pye, ``Hydration of Be2+ in aqueous solutions of simple inorganic salts. A vibrational spectroscopic - and ab initio study", poster presentation at the 21st International Conference on Raman Spectroscopy, Uxbridge, West London, UK, August 17-22, 2008.
  32. 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.
  33. 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.
  34. V. Walker*, C. C. Pye, ``An ab Initio Investigation of the Hydration of AsO43-·(H2O)n, SeO42-·(H2O)n, BrO4-·(H2O)n, 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.
    2007
  35. 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.
  36. 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.
  37. 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.
  38. K. G. Doucet*, C. 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.
    2006
  39. 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.
  40. 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.
  41. 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.
  42. 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.
  43. C. C. Pye, C. R. 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.
  44. 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.
  45. 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.
    2005
  46. C. R. Schaller, C. C. Pye, "An ab initio investigation of the second hydration sphere of metal cations", poster presentation at (a) (CRS) Atlantic Student Chemistry Conference, Memorial University, St. John's, NL, May 12-14, 2005. (b) (CCP) 88th CSC Conference, Saskatoon Centennial Auditorium and Convention Centre, Saskatoon, Saskatchewan, May 28-June 1, 2005. (c) (CCP oral) Atlantic Theoretical Chemistry Symposium, Mount Allison University, Sackville, NB, August 12-14, 2005. (d) (CCP) 29th International Conference on Solution Chemistry, Hotel Bernardin, Portoroz, Slovenia, August 20-25th, 2005.
  47. C. J. Mercer, C. C. Pye, "An ab initio investigation of multiply charged anions", poster presentation at (a) (CJM) Atlantic Student Chemistry Conference, Memorial University, St. John's, NL, May 12-14, 2005. (b) (CCP) 88th CSC Conference, Saskatoon Centennial Auditorium and Convention Centre, Saskatoon, Saskatchewan, May 28-June 1, 2005. (c) (CCP oral) Atlantic Theoretical Chemistry Symposium, Mount Allison University, Sackville, NB, August 12-14, 2005. (d) (CCP) 29th International Conference on Solution Chemistry, Hotel Bernardin, Portoroz, Slovenia, August 20-25th, 2005.
    2004
  48. W. W. Rudolph*, M. R. Michels, and C. C. Pye, "Raman, infrared, and ab Initio investigation of HPO42-(aq)", 19th International Conference on Raman Spectroscopy, Brisbane, Australia, August 8-13, 2004.
  49. W. W. Rudolph*, D. Fischer, C. C. Pye, G. Irmer "Raman and infrared spectroscopic investigation of In(OH2)63+(aq)", 19th International Conference on Raman Spectroscopy, Brisbane, Australia, August 8-13, 2004.
  50. Cory C. Pye*, "Modelling for undergraduates: SMU computational chemistry", invited oral presentation at Memorial Symposium on Molecular Informatics, Modelling, and Simulation, Memorial University, St. John's, NL June 23-26, 2004
    2003
  51. D. J. Mercer*, P. R. Tremaine, C. C. Pye, ``An ab Initio Investigation of Copper(I) Hydroxo and Ammine Complexes'', poster presentation at 86th CSC Conference and 39th IUPAC Congress, Ottawa Congress Centre, Ottawa, ON, August 10-15, 2003.
  52. C. C. Pye*, M. R. Michels, ``Ab Initio Investigation of Gas Hydrates'', poster presentation at 86th CSC Conference and 39th IUPAC Congress, Ottawa Congress Centre, Ottawa, ON, August 10-15, 2003.
  53. Cory C. Pye*, Margaretha R. Michels, "An ab initio study of dihydrogen phosphate (H2PO4-) ion.", oral presentation at 49th International Conference on Analytical Sciences and Spectroscopy, Carleton University, Ottawa, ON, June 1-4, 2003.
  54. Cory C. Pye*, Margaretha R. Michels, "An ab initio study of hydrogen phosphate (HPO42-) ion.", oral presentation at 49th International Conference on Analytical Sciences and Spectroscopy, Carleton University, Ottawa, ON, June 1-4, 2003.
  55. Cory C. Pye*, Wolfram W. Rudolph, "An ab initio and Raman spectroscopic study of phosphate (PO43-) ion", oral presentation at 49th International Conference on Analytical Sciences and Spectroscopy, Carleton University, Ottawa, ON, June 1-4, 2003.
  56. Cory C. Pye*, Julie F. Glister, "An ab initio study of domoic acid substructures", oral presentation at 8th Canadian Workshop on Harmful Marine Algae, Gulf Fisheries Centre, Moncton, NB, May 28-30, 2003.
  57. Darren J. Mercer*, Cory C. Pye, "An ab initio study of nitrate (NO3-) ion", (a) poster presentation at Atlantic Student Chemistry Conference, University College of Cape Breton, Sydney, NS, May 16-18, 2003. (b) oral presentation at 49th International Conference on Analytical Sciences and Spectroscopy, Carleton University, Ottawa, ON, June 1-4, 2003.
  58. T. G. Enright*, K. Vaughan, C. C. Pye, "Ab initio studies of SN2 reactions on Substituted Triazenes. II. Di- and Trimethyltriazene", poster presentation at Atlantic Student Chemistry Conference, University College of Cape Breton, Sydney, NS, May 16-18, 2003. Student's Choice Award.
  59. K. Kelley*, C. C. Pye, "An ab Initio Investigation of Scandium Sulfate Ion Pairing", poster presentation at (a) Atlantic Student Chemistry Conference, University College of Cape Breton, Sydney, NS, May 16-18, 2003. Honorable Mention. (b) 86th CSC Conference and 39th IUPAC Congress, Ottawa Congress Centre, Ottawa, ON, August 10-15, 2003. Honorable mention.
  60. C. R. Corbeil*, K. Vaughan, C. C. Pye, ``An Ab Initio Study of Conformations of Nitrogen Heterocycles'', (a) oral presentation at Atlantic Student Chemistry Conference, University College of Cape Breton, Sydney, NS, May 16-18, 2003. (b) poster presentation at 86th CSC Conference and 39th IUPAC Congress, Ottawa Congress Centre, Ottawa, ON, August 10-15, 2003.
    2002
  61. W. W. Rudolph*, C. C. Pye, G. Irmer, ``Raman spectroscopic studies of gallium(III) and indium(III) in aqueous solutions and ab initio molecular orbital calculations of gallium(III) and indium(III)-water clusters'', poster presentation at 18th International Conference on Raman Spectroscopy, Budapest, Hungary, August 25-30, 2002.
  62. C. C. Pye*, ``Chemistry and Song: A Novel Way to Educate and Entertain'', oral presentation at 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
  63. R. D. Singer*, E. Turner, C. Pye, I. Hemeon, J. Finden, ``Design, Synthesis, Characterization, and Use of Ionic Liquids'', oral presentation at 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
  64. E. A. C. Turner*, R. D. Singer, and C. C. Pye, ``Synthesis, Characterization, and an Ab initio investigation of 1-alkyl-3-methylimidazolium halides'', oral presentation at Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. Winner, best oral presentation in physical chemistry.
  65. J. Pearson*, C. D. Keefe, and C. C. Pye, ``Absolute Integrated Absorption Intensities of benzene: A comparison of experimental and ab initio results'', oral presentation at Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. Winner, E. Gordon Young award for chemical education.
  66. C. C. Pye and C. M. Gunasekara, ``An ab initio investigation of Bismuth(III) Aqua complexes, Bi(H2O)n3+,'' poster presentation at (a) (CMG) Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. Winner, 2nd place, inorganic poster. (b) (CCP) 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
  67. C. C. Pye and T. G. Enright, ``An ab initio investigation of SN2 reactions of triazenes,'' poster presentation at (a) (TGE) Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. (b) (CCP) 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
  68. C. C. Pye, T. G. Enright, and M. R. Tomney, ``Benchmark ab initio studies of Lithium(I) and Magnesium(II) Aqua Complexes'', poster presentation at (a) (MRT) Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. (b) (CCP) 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
  69. C. C. Pye, S. M. Black, ``Ab initio investigation of Zinc Bromo Complexes, ZnBrm(H2O)n2-m, 0≤ m+n ≤ 6'', poster presentation at (a) (SMB) Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. (b) (CCP) 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
  70. C. C. Pye, C. R. Corbeil ``Ab initio investigation of Zinc Chloro Complexes, ZnClm(H2O)n2-m, 0≤ m+n ≤ 6'', oral presentation at (a) (SMB) Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, NF, May 17-19, 2002. (b) (CCP) 85th CSC Conference, University of British Columbia, Vancouver, BC, June 1-6, 2002.
    2001
  71. C. C. Pye*, ''An ab initio and Raman Investigation of Sulfate ion hydration'', oral presentation at 84th CSC Conference, Hilton Bonaventure, Montreal, QC, May 26-30th, 2001.
  72. C. C. Pye*, J. F. Glister, and K. Vaughan, ''An ab initio Investigation of Substituted Triazenes'', poster presentation at 84th CSC Conference, Hilton Bonaventure, Montreal, QC, May 26-30th, 2001.
  73. E. Turner*, R. Singer, and C. C. Pye, ''Exploring the Correlation between the Coulombic interactions and the Enthalpic Properties of dialkylimidazolium halides", poster presentation at (a) Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 18-20th, 2001 (b) 84th CSC Conference, Hilton Bonaventure, Montreal, QC, May 26-30th, 2001.
  74. C. C. Pye and M. R. Michels, ''An ab initio study of hydrated phosphoric acid", poster presentation at (a) (MRM) Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 18-20th, 2001. Winner of best undergraduate poster in physical chemistry (b) (CCP) 84th CSC Conference, Hilton Bonaventure, Montreal, QC, May 26-30th, 2001.
  75. C. C. Pye, C. R. Corbeil*, P. R. Tremaine, ''An ab initio study of copper(I) chloro complexes. CuClm(H2O)n1-m, 0≤ m+n ≤ 6'', poster presentation at (a) Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 18-20th, 2001 (b) 84th CSC Conference, Hilton Bonaventure, Montreal, QC, May 26-30th, 2001.
  76. C. C. Pye, C. R. Corbeil, ''An ab initio study of scandium chloro complexes, ScClm(H2O)n3-m, 0≤ m+n ≤ 6'', poster presentation at (a) Atlantic Student Chemistry Conference, Dalhousie University, Halifax, NS, May 18-20th, 2001 (b) 84th CSC Conference, Hilton Bonaventure, Montreal, QC, May 26-30th, 2001.
    2000
  77. C. C. Pye*, W. W. Rudolph, ``Modelling the Vibrational Spectra of Electrolyte Solutions", oral presentation at the Connections between Theory and Experiment Symposium, 16th IUPAC Conference on Chemical Thermodynamics, Dalhousie University, Halifax, NS, August 6 - 11th, 2000.
    1999
  78. C. C. Pye*, W. W. Rudolph, ``An ab Initio Study of the Solvation of Metal Ions. Part II. Importance of the Second Hydration Sphere and Ion Pairing'', oral presentation at the Don Irish Tribute Symposium, 82nd CSC Conference, Westin Harbour Castle Hotel, Toronto, Ontario, May 30 - June 2, 1999
  79. C. C. Pye*, T. Ziegler, ``An Implementation of the COSMO Solvation Model in the Density Functional Package ADF. Part III. Radii Optimization and Applications'', (a) poster presentation at 82nd CSC Conference, Westin Harbour Castle Hotel, Toronto, Ontario, May 30 - June 2, 1999
  80. C. C. Pye*, ``An ab Initio Study of 1,2-Heteroatom Shifts in 5-Substituted Cyclopentadienes. Part II. Correlated Calculations'', poster presentation at 82nd CSC Conference, Westin Harbour Castle Hotel, Toronto, Ontario, May 30 - June 2, 1999
  81. W. W. Rudolph*, C. C. Pye, ``Raman Spectroscopic and ab initio molecular orbital studies of scandium(III) hydration in aqueous solution'', poster presentation at 82nd CSC Conference, Westin Harbour Castle Hotel, Toronto, Ontario, May 30 - June 2, 1999
  82. T. Ziegler*, K. Vanka, M. S. K. Chan, C. C. Pye, K. Vanka, ``A Density Functional Study on the Activation Step in Olefin Polymerization Catalyzed by Group-4 Metallocenes'', (a) poster presentation at 82nd CSC Conference, Westin Harbour Castle Hotel, Toronto, Ontario, May 30 - June 2, 1999
  83. T. Ziegler*, M. S. K. Chan, K. Vanka, C. C. Pye ``A Density Functional Study on Ion-Pair Formation in group 4 Metallocene and Related Olefin Polymerization Catalysts'', (a) oral presentation at 82nd CSC Conference, Westin Harbour Castle Hotel, Toronto, Ontario, May 30 - June 2, 1999
  84. T. Ziegler*, P. M. Margl, T. K. Woo, R. Schmid, S. K. Wolff, C. C. Pye, ``Density Functional Theory as a Practical Tool in Transition Metal Chemistry. Modeling the Real Thing.'', Workshop on Density Functional Methods, Hotel Laguna, Laguna Beach, CA March 26-28, 1999, Irvine California
    1998
  85. C. C. Pye* and T. Ziegler, ``An Implementation of the COSMO Solvation Model in the Density Functional Package ADF. Part II. Refinement, Testing, and Applications'', poster presentationat the 13th Canadian Symposium on Theoretical Chemistry, The University of British Columbia, Vancouver, British Columbia, August 2-7, 1998
    1997
  86. C. C. Pye* and R. A. Poirier, ``Geometry Optimization in ab Initio Theory. Part II. Natural Internal Coordinates'', poster presentation at the 3rd Canadian Computational Chemistry Conference, The University of Alberta, Edmonton, Alberta, July 19-23, 1997
  87. C. C. Pye*, R. A. Poirier, D. Jean Burnell, and D. Klapstein, ``An ab Initio Study of cis -5,6-disubstituted Cyclohexadienes'', poster presentation at the 3rd Canadian Computational Chemistry Conference, The University of Alberta, Edmonton, Alberta, July 19-23, 1997
  88. C. C. Pye*, Y. Han, and T. Ziegler, ``An Implementation of the COSMO Solvation Model in the Density Functional Package ADF'' poster presentation at the 3rd Canadian Computational Chemistry Conference, The University of Alberta, Edmonton, Alberta, July 19-23, 1997
    1996
  89. C. C. Pye*, W. Rudolph, ``An ab initio Study of the Solvation of Metal Ions'', poster presentation at the 79th Canadian Society for Chemistry Conference and Exhibition, Memorial University of Newfoundland, St. John's, Newfoundland, June 23-26, 1996.
  90. C. C. Pye*, R. A. Poirier, ``Geometry Optimization in ab initio Theory'', poster presentation at the 79th Canadian Society for Chemistry Conference and Exhibition, Memorial University of Newfoundland, St. John's, Newfoundland, June 23-26, 1996.
  91. C. C. Pye*, R. A. Poirier, ``An ab initio Study of 1,2-Heteroatom Shifts in 5-Substituted Cyclopentadienes'', poster presentation at the 79th Canadian Society for Chemistry Conference and Exhibition, Memorial University of Newfoundland, St. John's, Newfoundland, June 23-26, 1996.
  92. J. D. Xidos*, C. C. Pye, R. A. Poirier, and D. J. Burnell, ``Size Does Matter: An ab initio examination of Facial Selectivity in the Diels-Alder Reactions of 5-Substituted Cyclopentadienes'', oral presentation at the 79th Canadian Society for Chemistry Conference and Exhibition, Memorial University of Newfoundland, St. John's, Newfoundland, June 23-26, 1996.
    1995
  93. R. A. Poirier, Atlantic CIC Tour Speaker, 1995, (with D. J. Burnell, C. C. Pye, and J. D. Xidos) `What is a Transition State?'', University of New Brunswick, Universite de Moncton, Dalhousie University, and Acadia University, November 27-30, 1995.
  94. D. J. Burnell (invited speaker), (with R. A. Poirier, C. C. Pye, and J. D. Xidos) ``Facial Selectivity in Organic Reactions: Theory and Practice'', Saint Mary's University, October 20, 1995.
  95. J. D. Xidos*, C. C. Pye, R. A. Poirier, and D. J. Burnell, ``An ab initio examination of Facial Selectivity in the Diels-Alder Reactions of 5-Substituted Cyclopentadienes'', poster presentation at the Canadian Society for Chemistry Conference and Exhibition, University of Guelph, Guelph, Ontario, May 28 - June 1, 1995
    1994
  96. C. C. Pye*, D. J. Burnell, R. A. Poirier, and J. D. Xidos, ``π-Facial Diastereoselectivity in the Diels-Alder reaction of Plane-Nonsymmetric Dienes'', poster presentation at the Second Canadian Computational Chemistry Conference, Queen's University, Kingston, Ont. May 21-25, 1994
  97. C. C. Pye*, R. A. Poirier, D. Yu, P. Surjan, ``Ab initio Hartree-Fock calculations of the interaction energy of bimolecular complexes'', poster presentation at the 19th Atlantic Student Chemistry Conference, Mount Saint Vincent University, Halifax, N.S. May 19-21, 1994
  98. C. C. Pye*, D. J. Burnell, R. A. Poirier, ``Some Chemistry of Benzene Oxide and Related Systems'', poster presentation at the 19th Atlantic Student Chemistry Conference, Mount Saint Vincent University, Halifax, N.S. May 19-21, 1994
    1992
  99. C. C. Pye*, D. J. Burnell, R. A. Poirier, ``A Theoretical Investigation of the Benzene Oxide - Oxepin Valence Tautomerism'', oral presentation at the 17th Atlantic Student Chemistry Conference, Sir Wilfred Grenfell College, Corner Brook, Nfld. 1992
    1991
  100. C. C. Pye*, D. J. Burnell, J. R. Gillard, R. A. Poirier, ``π-Facial Selectivity in the Diels-Alder reaction of plane-nonsymmetric dienes'', oral presentation at the 16th Atlantic Student Chemistry Conference, Mount Allison University, Sackville, N.B. 1991

Invited Talks

  1. C. C. Pye, CIC Atlantic Section Tour Speaker, 2001 ''Modelling the Vibrational Spectra of Electrolyte Solutions'',
    1. Saint Mary's University, Halifax, NS, Feb 6
    2. Mount Allison University, Sackville, NB, Feb 15
    3. Universite de Moncton, Moncton, NB, Feb 16
    4. Saint Francis Xavier University, Antigonish, NS, Apr 4
    5. University College of Cape Breton, Sydney, NS, Apr 5
    6. Acadia University, Wolfville, NS, Jun 22
    7. University of Prince Edward Island, Charlottetown, PE, Jun 29
  2. C. C. Pye, APICS Chemistry Section Tour Speaker, 2001 ''Modelling the Vibrational Spectra of Electrolyte Solutions'',
    1. Memorial University of Newfoundland, St. John's, NF, February 27
  3. C. C. Pye, "Modelling for Undergraduates: SMU Computational Chemistry", Memorial Symposium on Molecular Informatics, Modelling and Simulation, Memorial University, St. John's NL, June 23-26, 2004.
  4. C. C. Pye, "Modelling the Vibrational Spectra of Electrolyte Solutions", invited talk at U. Guelph, November 19th, 2009.