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  1. An Ab Initio Study of Aqueous Copper(I) Speciation in the Presence of Chloride

    Article • Molecules, July 2025, MDPI AG

    Dr. Cory Pye

  2. Addition to “Chemical Safety: TATP Formation in 2-Propanol”

    Article • ACS Chemical Health & Safety, November 2024, American Chemical Society (ACS)

    Dr. Cory Pye

  3. Ab Initio Investigation of the Hydration of the Tetrahedral d0 Transition Metal Oxoanions NbO43−, TaO43−, CrO42−, MoO42−, WO42−, MnO4−, TcO4−, ReO4−, and of FeO4, RuO4, and OsO4

    Article • Liquids, August 2024, MDPI AG

    Dr. Cory Pye

  4. Interpreting the Microwave Spectra of Diatomic Molecules—Part II: Nuclear Quadrupole Coupling of One Nucleus

    Article • Spectroscopy Journal, June 2024, MDPI AG

    Dr. Cory Pye

  5. An Ab Initio Investigation of the Hydration of Antimony(III)

    Article • Liquids, April 2024, MDPI AG

    Dr. Cory Pye

  6. Corrigendum to “The thermal decomposition of gallium nitrate hydrate, Ga(NO3)3·9H2O” [Polyhedron 197 (2021) 115040]

    Article • Polyhedron, July 2023, Elsevier

    Dr. Cory Pye

  7. Interpreting the Microwave Spectra of Diatomic Molecules

    Article • Spectroscopy Journal, February 2023, MDPI AG

    Dr. Cory Pye

  8. A Raman spectroscopic and ab initio investigation of aqueous boron speciation under alkaline hydrothermal conditions: evidence for the structure and thermodynamic stability of the diborate ion

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr. Cory Pye

  9. An Ab Initio Investigation of the Hydration of Tin(II)

    Article • Liquids, December 2022, MDPI AG

    Dr. Cory Pye

  10. An Ab Initio Study of the Effect of Hydration on the Vibrational Spectrum of Hydrogen Vanadate Ion

    Article • Journal of Solution Chemistry, November 2022, Springer Science + Business Media

    Dr. Cory Pye

  11. An ab initio study of the effect of hydration on the vibrational spectrum of hydrogen arsenate ion

    Article • Computational and Theoretical Chemistry, September 2022, Elsevier

    Dr. Cory Pye

  12. An ab initio study of the effect of hydration on the vibrational spectrum of hydrogen selenate ion

    Article • Journal of Molecular Liquids, August 2022, Elsevier

    Dr. Cory Pye

  13. Electrochemical Surface-Enhanced Raman Spectroscopy (EC-SERS) and Computational Study of Atrazine: Toward Point-of-Need Detection of Prevalent Herbicides

    Article • The Journal of Physical Chemistry C, June 2022, American Chemical Society (ACS)

    Dr. Cory Pye

  14. An Ab Initio Investigation of the Hydration of Lead(II)

    Article • Liquids, March 2022, MDPI AG

    Dr. Cory Pye

  15. The thermal decomposition of gallium nitrate hydrate, Ga(NO3)3·9H2O

    Article • Polyhedron, March 2021, Elsevier

    Dr. Cory Pye

  16. Fabrication of high quality electrochemical SERS (EC-SERS) substrates using physical vapour deposition

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr. Cory Pye

  17. Desymmetrization in geometry optimization: application to an ab initio study of copper(I) hydration

    Article • Pure and Applied Chemistry, July 2020, De Gruyter

    Dr. Cory Pye

  18. Chemical Safety: TATP Formation in 2-Propanol

    Article • ACS Chemical Health & Safety, June 2020, American Chemical Society (ACS)

    Dr. Cory Pye

  19. An ab initio study of the effect of hydration on the vibrational spectrum of hydrogen sulfate

    Article • Computational and Theoretical Chemistry, April 2020, Elsevier

    Dr. Cory Pye

  20. An Ab Initio Investigation of the Hydration of Thallium(III) and Mercury(II)

    Article • Journal of Solution Chemistry, February 2020, Springer Science + Business Media

    Dr. Cory Pye

  21. Spectroelectrochemical and computational studies of tetrahydrocannabinol (THC) and carboxy-tetrahydrocannabinol (THC-COOH)

    Article • The Analyst, January 2020, Royal Society of Chemistry

    Dr. Cory Pye

  22. Investigation of the Ternary Phase Diagram of Water–Propan-2-ol–Sodium Chloride: A Laboratory Experiment

    Article • Journal of Chemical Education, June 2018, American Chemical Society (ACS)

    Dr. Cory Pye

  23. A Crystallographic Review of Alkali Borate Salts and Ab Initio Study of Borate Ions/Molecules

    Article • January 2018, Springer Science + Business Media

    Dr. Cory Pye

  24. An Ab Initio Study of Boric Acid, Borate, and their Interconversion

    Article • January 2018, Springer Science + Business Media

    Dr. Cory Pye

  25. Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS2 (Ar = 4-CH3O-C6H4)

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr. Cory Pye

  26. Raman Spectroscopic and ab Initio Investigation of Aqueous Boric Acid, Borate, and Polyborate Speciation from 25 to 80 °C

    Article • Industrial & Engineering Chemistry Research, November 2017, American Chemical Society (ACS)

    Dr. Cory Pye

  27. Electrochemical-Surface Enhanced Raman Spectroscopic (EC-SERS) Study of 6-Thiouric Acid: A Metabolite of the Chemotherapy Drug Azathioprine

    Article • The Journal of Physical Chemistry C, March 2017, American Chemical Society (ACS)

    Dr. Cory Pye

  28. RADMAP: Simple probes for rapid assessment of complex reactivity: A method and case studies on the reaction of hydrogen atoms with unsaturated organic molecules

    Article • Journal of Molecular Graphics and Modelling, March 2016, Elsevier

    Dr. Cory Pye

  29. Electrochemical surface-enhanced Raman spectroscopy (E-SERS) of novel biodegradable ionic liquids

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr. Cory Pye

  30. Correction to Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations

    Article • Inorganic Chemistry, December 2012, American Chemical Society (ACS)

    Dr. Cory Pye

  31. Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations

    Article • Inorganic Chemistry, October 2012, American Chemical Society (ACS)

    Dr. Cory Pye

  32. Lewis Base Stabilized Oxophosphonium Ions

    Article • Angewandte Chemie, September 2012, Wiley

    Dr. Cory Pye

  33. On the Least-Squares Fitting of Slater-Type Orbitals with Gaussians: Reproduction of the STO-NG Fits Using Microsoft Excel and Maple

    Article • Journal of Chemical Education, September 2012, American Chemical Society (ACS)

    Dr. Cory Pye

  34. 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

    Article • European Journal of Organic Chemistry, December 2011, Wiley

    Dr. Cory Pye

  35. Ab Initio Investigation of the Hydration of the Tetrahedral Perchlorate, Perbromate, Selenate, Arsenate, and Vanadate Anions

    Article • The Journal of Physical Chemistry A, November 2011, American Chemical Society (ACS)

    Dr. Cory Pye

  36. An Ab Initio Investigation of Zinc Bromo Complexes

    Article • Journal of Solution Chemistry, November 2011, Springer Science + Business Media

    Dr. Cory Pye

  37. An analysis of SCF and geometry convergence for diatomic molecules

    Article • Open Chemistry, August 2011, De Gruyter

    Dr. Cory Pye

  38. Survey of Carbon Dioxide Capture in Phosphonium-Based Ionic Liquids and End-Capped Polyethylene Glycol Using DETA (DETA = Diethylenetriamine) as a Model Absorbent§

    Article • Industrial & Engineering Chemistry Research, March 2011, American Chemical Society (ACS)

    Dr. Cory Pye

  39. Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres

    Article • Organic & Biomolecular Chemistry, January 2011, Royal Society of Chemistry

    Dr. Cory Pye

  40. An ab initio study of model triazene-based anticancer agents

    Article • Canadian Journal of Chemistry, August 2010, Canadian Science Publishing

    Dr. Cory Pye

  41. Two-Step Iron(0)-Mediated N-Demethylation ofN-Methyl Alkaloids

    Article • The Journal of Organic Chemistry, July 2010, American Chemical Society (ACS)

    Dr. Cory Pye

  42. Structure of the Room-Temperature Ionic Liquid 1-Hexyl-3-methylimidazolium Hydrogen Sulfate: Conformational Isomerism

    Article • The Journal of Physical Chemistry A, June 2010, American Chemical Society (ACS)

    Dr. Cory Pye

  43. Isolation and Structures of Two New Organozinc Anions from Solutions Rich in Halide Ions

    Article • Organometallics, May 2010, American Chemical Society (ACS)

    Dr. Cory Pye

  44. An ab initio study of beryllium(II) hydration

    Article • Journal of Molecular Structure THEOCHEM, November 2009, Elsevier

    Dr. Cory Pye

  45. An ab initio study of 5,6-disubstituted 1,3-cyclohexadienes

    Article • Journal of Molecular Structure THEOCHEM, September 2009, Elsevier

    Dr. Cory Pye

  46. Hexaaquagallium(III) trinitrate trihydrate

    Article • Acta Crystallographica Section E Structure Reports Online, July 2009, International Union of Crystallography

    Dr. Cory Pye

  47. An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents

    Article • Canadian Journal of Chemistry, July 2009, Canadian Science Publishing

    Dr. Cory Pye

  48. Hydration of beryllium(ii) in aqueous solutions of common inorganic salts. A combined vibrational spectroscopic and ab initio molecular orbital study

    Article • Dalton Transactions, January 2009, Royal Society of Chemistry

    Dr. Cory Pye

  49. Carbon-Centered Strong Bases in Phosphonium Ionic Liquids

    Article • The Journal of Organic Chemistry, February 2008, American Chemical Society (ACS)

    Dr. Cory Pye

  50. An ab initio investigation of bismuth hydration

    Article • Canadian Journal of Chemistry, November 2007, Canadian Science Publishing

    Dr. Cory Pye

  51. An exploratory ab initio study of the SN2 reaction of 1,3,3-trimethyltriazene with halide ions

    Article • Canadian Journal of Chemistry, November 2007, Canadian Science Publishing

    Dr. Cory Pye

  52. An ab initio study of the SN2 reaction of 1- and 3-methyltriazene with halide ions

    Article • Journal of Molecular Structure THEOCHEM, December 2006, Elsevier

    Dr. Cory Pye

  53. An ab initio investigation of zinc chloro complexes

    Article • Physical Chemistry Chemical Physics, January 2006, Royal Society of Chemistry

    Dr. Cory Pye

  54. An ab initio study of 1,5-suprafacial shifts in 5-substituted 1,3-cyclopentadienes

    Article • Canadian Journal of Chemistry, September 2005, Canadian Science Publishing

    Dr. Cory Pye

  55. Indium(iii) hydration in aqueous solutions of perchlorate, nitrate and sulfate. Raman and infrared spectroscopic studies and ab-initio molecular orbital calculations of indium(iii)–water clusters

    Article • Physical Chemistry Chemical Physics, January 2004, Royal Society of Chemistry

    Dr. Cory Pye

  56. An ab Initio, Infrared, and Raman Investigation of Phosphate Ion Hydration

    Article • The Journal of Physical Chemistry A, October 2003, American Chemical Society (ACS)

    Dr. Cory Pye

  57. Use of ab Initio Calculations toward the Rational Design of Room Temperature Ionic Liquids

    Article • The Journal of Physical Chemistry A, April 2003, American Chemical Society (ACS)

    Dr. Cory Pye

  58. An ab initio study of conformations and IR spectra of 5-substituted 1,3-cyclopentadienes

    Article • Canadian Journal of Chemistry, January 2003, Canadian Science Publishing

    Dr. Cory Pye

  59. An ab initio investigation of scandium chloro complexes

    Article • Canadian Journal of Chemistry, October 2002, Canadian Science Publishing

    Dr. Cory Pye

  60. 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 clustersElectronic supplementary information (ESI) available: U...

    Article • Physical Chemistry Chemical Physics, August 2002, Royal Society of Chemistry

    Dr. Cory Pye

  61. An ab initio study of conformations and sigmatropic shifts in triazene and its mono-, di-, and trimethyl derivatives

    Article • Canadian Journal of Chemistry, May 2002, Canadian Science Publishing

    Dr. Cory Pye

  62. Study of gallium(III) nitrate hydrate and aqueous solutions: Raman spectroscopy andab initio molecular orbital calculations of gallium(III) water clusters

    Article • Journal of Raman Spectroscopy, January 2002, Wiley

    Dr. Cory Pye

  63. An ab Initio and Raman Investigation of Sulfate Ion Hydration

    Article • The Journal of Physical Chemistry A, February 2001, American Chemical Society (ACS)

    Dr. Cory Pye

  64. A Density Functional Study of Ion-Pair Formation and Dissociation in the Reaction between Boron- and Aluminum-Based Lewis Acids with (1,2-Me2Cp)2ZrMe2

    Article • Organometallics, May 2000, American Chemical Society (ACS)

    Dr. Cory Pye

  65. Raman Spectroscopic Measurements of Scandium(III) Hydration in Aqueous Perchlorate Solution and ab Initio Molecular Orbital Studies of Scandium(III) Water Clusters: Does Sc(III) Occur as a Hexaaqua Complex?

    Article • The Journal of Physical Chemistry A, March 2000, American Chemical Society (ACS)

    Dr. Cory Pye

  66. Aluminium(III) hydration in aqueous solution. A Raman spectroscopic investigation and an ab initio molecular orbital study of aluminium(III) water clusters

    Article • Physical Chemistry Chemical Physics, January 2000, Royal Society of Chemistry

    Dr. Cory Pye

  67. Article • Journal of Solution Chemistry, January 2000, Springer Science + Business Media

    Dr. Cory Pye

  68. Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts

    Article • Organometallics, October 1999, American Chemical Society (ACS)

    Dr. Cory Pye

  69. An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package

    Article • Theoretical Chemistry Accounts, May 1999, Springer Science + Business Media

    Dr. Cory Pye

  70. Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab-initio molecular orbital study

    Article • Physical Chemistry Chemical Physics, January 1999, Royal Society of Chemistry

    Dr. Cory Pye

  71. Article • Journal of Solution Chemistry, January 1999, Springer Science + Business Media

    Dr. Cory Pye

  72. An ab Initio and Raman Investigation of Magnesium(II) Hydration

    Article • The Journal of Physical Chemistry A, November 1998, American Chemical Society (ACS)

    Dr. Cory Pye

  73. Raman Spectroscopic Measurements and ab Initio Molecular Orbital Studies of Cadmium(II) Hydration in Aqueous Solution

    Article • The Journal of Physical Chemistry, April 1998, American Chemical Society (ACS)

    Dr. Cory Pye

  74. An ab Initio Study of Facial Selectivity in the Diels−Alder Reaction

    Article • The Journal of Organic Chemistry, January 1998, American Chemical Society (ACS)

    Dr. Cory Pye

  75. Examination of the Valence Tautomers Benzene Oxide and Oxepin and Two Derivative Systems byabInitioMethods

    Article • The Journal of Physical Chemistry A, May 1997, American Chemical Society (ACS)

    Dr. Cory Pye

  76. An ab Initio Investigation of Lithium Ion Hydration

    Article • The Journal of Physical Chemistry, January 1996, American Chemical Society (ACS)

    Dr. Cory Pye

  77. Origin of Facial Selectivity in the Diels-Alder Reactions of 5-Substituted 1,3-Cyclopentadienes

    Article • The Journal of Organic Chemistry, April 1995, American Chemical Society (ACS)

    Dr. Cory Pye

  78. Hydration of Lithium Ion in Aqueous Solutions

    Article • The Journal of Physical Chemistry, March 1995, American Chemical Society (ACS)

    Dr. Cory Pye