Search Results - Werstiuk, Nick Henry

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  1. 1
    Creating Three Pentacoordinated Carbons in a Six-Membered Ring. An Atoms-in-Molecules and Electron-Localization Function Study on the Trishomocyclopropenyl Cation and Phosphorus, Sulfur, Arsenic, and Selenium Analogues

    Creating Three Pentacoordinated Carbons in a Six-Membered Ring. An Atoms-in-Molecules and Electron-Localization Function Study on the Trishomocyclopropenyl Cation and Phosphorus, S... by Werstiuk, Nick Henry, Wang, Yi-Gui

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  2. 2
    A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory

    A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory by Wang, Yi-Gui, Werstiuk, Nick Henry

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  3. 3
    A density functional theory study on the rearrangements of the 6-tricyclo[3.2.1.02,4]octyl cation and its isomers: a walk on the C8H11+ potential energy surface and a peek at molecular structures with AIM

    A density functional theory study on the rearrangements of the 6-tricyclo[3.2.1.02,4]octyl cation and its isomers: a walk on the C8H11+ potential energy surface and a peek at molec... by Werstiuk, Nick Henry, Wang, Yi-Gui

    Published in ARKIVOC
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  4. 4
    Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation

    Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation by Wang, Yi-Gui, Matta, Cherif, Werstiuk, Nick Henry

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  5. 5
    Density functional theory computational study on the thermal cycloreversion of 2-acetoxy-2-methoxy-5,5-dimethyl-Delta3-1,3,4-oxadiazoline: evidence for a carbonyl ylide intermediate

    Density functional theory computational study on the thermal cycloreversion of 2-acetoxy-2-methoxy-5,5-dimethyl-Delta3-1,3,4-oxadiazoline: evidence for a carbonyl ylide intermediat... by Czardybon, Wojciech, Warkentin, John, Werstiuk, Nick Henry

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  6. 6
    Density Functional Theory Computational Study on the Thermal Cycloreversion of 2-Acetoxy-2-methoxy-5,5-dimethyl-Δ3-1,3,4-oxadiazoline: Evidence for a Carbonyl Ylide Intermediate

    Density Functional Theory Computational Study on the Thermal Cycloreversion of 2-Acetoxy-2-methoxy-5,5-dimethyl-Δ3-1,3,4-oxadiazoline: Evidence for a Carbonyl Ylide Intermediate by Czardybon, Wojciech, Warkentin, John, Werstiuk, Nick Henry

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  7. 7
    Density Functional Theory Computational Study on the Thermal Cycloreversion of 2-Acetoxy-2-methoxy-5,5-dimethyl-Δ 3 -1,3,4-oxadiazoline: Evidence for a Carbonyl Ylide Intermediate

    Density Functional Theory Computational Study on the Thermal Cycloreversion of 2-Acetoxy-2-methoxy-5,5-dimethyl-Δ 3 -1,3,4-oxadiazoline: Evidence for a Carbonyl Ylide Intermediate by Czardybon, Wojciech, Warkentin, John, Werstiuk, Nick Henry

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  8. 8
    Reactions of allyloxy(methoxy)carbene in solution. Carbene rearrangement and Claisen rearrangement of the carbene dimer

    Reactions of allyloxy(methoxy)carbene in solution. Carbene rearrangement and Claisen rearrangement of the carbene dimer by Plazuk, Damian, Warkentin, John, Werstiuk, Nick Henry

    Published in Tetrahedron
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  9. 9
    Density functional theory computational study on the thermal cycloreversion of 2-acetoxy-2-methoxy-5,5-dimethyl-Δ3-1,3,4-oxadiazoline : Evidence fora carbonyl ylide intermediate

    Density functional theory computational study on the thermal cycloreversion of 2-acetoxy-2-methoxy-5,5-dimethyl-Δ3-1,3,4-oxadiazoline : Evidence fora carbonyl ylide intermediate by CZARDYBON, Wojciech, WARKENTIN, John, WERSTIUK, Nick Henry

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  10. 10
    6,7-diaza-1-methoxy- 5-methyl-2, 8-dioxabicyclo[3.2.1]oct-6-ene. An unstable bicyclic precursor of a dioxa carbonyl ylide and carbenes by ylide ring opening

    6,7-diaza-1-methoxy- 5-methyl-2, 8-dioxabicyclo[3.2.1]oct-6-ene. An unstable bicyclic precursor of a dioxa carbonyl ylide and carbenes by ylide ring opening by Czardybon, Wojciech, Sokol, Wojciech, Warkentin, John, Werstiuk, Nick Henry

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  11. 11
    An Atoms in Molecules and Electron Localization Function Computational Study on the Molecular Structure of the 6-Tricyclo[3.2.1.02,4]octyl Cation

    An Atoms in Molecules and Electron Localization Function Computational Study on the Molecular Structure of the 6-Tricyclo[3.2.1.02,4]octyl Cation by Werstiuk, Nick Henry, Wang, Yi-Gui

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  12. 12
    Computational study of the thermal rearrangement of acetoxy(methoxy)carbene

    Computational study of the thermal rearrangement of acetoxy(methoxy)carbene by Czardybon, Wojciech, Warkentin, John, Werstiuk, Nick Henry

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  13. 13
    Protium-deuterium exchange of cyclic and acyclic alkenes in dilute acid medium at elevated temperatures

    Protium-deuterium exchange of cyclic and acyclic alkenes in dilute acid medium at elevated temperatures by Werstiuk, Nick Henry, Timmins, George

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  14. 14
    Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation

    Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation by Wang, Yi-Gui, Matta, Cherif F., Werstiuk, Nick Henry

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  15. 15
    Applications and evaluation of IGAIM 13C and 1H chemical shift calculations for unsaturated hydrocarbons and organolithium compounds

    Applications and evaluation of IGAIM 13C and 1H chemical shift calculations for unsaturated hydrocarbons and organolithium compounds by Werstiuk, Nick Henry, Ma, Jiangong

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  16. 16
    Applications and evaluation of IGAIM 13 C and 1 H chemical shift calculations for unsaturated hydrocarbons and organolithium compounds

    Applications and evaluation of IGAIM 13 C and 1 H chemical shift calculations for unsaturated hydrocarbons and organolithium compounds by Werstiuk, Nick Henry, Ma, Jiangong

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  17. 17
    An AM1 calculational study of the Diels-Alder addition of maleic anhydride to C5-substituted pentamethylcyclopentadienes and 2,5-dimethylthiophene oxide. An attempt to ascertain the factors controlling the π-facial selectivities and relative reactivities

    An AM1 calculational study of the Diels-Alder addition of maleic anhydride to C5-substituted pentamethylcyclopentadienes and 2,5-dimethylthiophene oxide. An attempt to ascertain th... by Werstiuk, Nick Henry, Ma, Jiangong

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  18. 18
    Experimental and AM1 calculational studies of the deprotonation of bicyclo[2.2.2]octane-2,5-dione and bicyclo[2.2.2]octane-2,6-dione: a study of homoconjugation, inductive, and steric effects on the rates and diastereoselectivities of α enolization

    Experimental and AM1 calculational studies of the deprotonation of bicyclo[2.2.2]octane-2,5-dione and bicyclo[2.2.2]octane-2,6-dione: a study of homoconjugation, inductive, and ste... by Werstiuk, Nick Henry, Roy, Chandra Deo

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  19. 19
    AM1 calculational and experimental evidence that a β-nitroxyl group significantly enhances the thermodynamic and kinetic acidities of ketones

    AM1 calculational and experimental evidence that a β-nitroxyl group significantly enhances the thermodynamic and kinetic acidities of ketones by Werstiuk, Nick Henry, Roy, Chandra Deo

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  20. 20
    A study of the vacuum pyrolysis of 11 -oxatricyclo[6.2.1.02,7]undeca-2,9-diene. The HeI ultraviolet photoelectron spectrum of 1,2-cyclohexadiene

    A study of the vacuum pyrolysis of 11 -oxatricyclo[6.2.1.02,7]undeca-2,9-diene. The HeI ultraviolet photoelectron spectrum of 1,2-cyclohexadiene by Werstiuk, Nick Henry, Roy, Chandra Deo, Ma, Jiangong

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