Michael Deleuze

Articles in Scholarly Journals [Incomplete List]

  1. High resolution electron momentum spectroscopy of the valence orbitals of water
    Chemical Physics, vol. 343, no. 1, pp. 19–30, 2008
  2. Study of the Valence Wave Function of Thiophene with High Resolution Electron Momentum Spectroscopy and Advanced Dyson Orbital Theories
    Journal of Physical Chemistry A, vol. 112, no. 11, pp. 2339–2354, 2008
  3. Study of the photoelectron and electron momentum spectra of cyclopentene using benchmark Dyson orbital theories
    Physical Chemistry Chemical Physics, vol. 10, no. 17, p. 2374, 2008
  4. Probing molecular conformations in momentum space: The case of n-pentane
    The Journal of Chemical Physics, vol. 127, no. 17, p. 174306, 2007
  5. Imaging Momentum Orbital Densities of Conformationally Versatile Molecules: A Benchmark Theoretical Study of the Molecular and Electronic Structures of Dimethoxymethane
    Journal of Physical Chemistry A, vol. 111, no. 26, pp. 5879–5897, 2007
  6. Theoretical Study of the Fragmentation Pathways of Norbornane in Its Doubly Ionized Ground State
    Journal of Physical Chemistry A, vol. 111, no. 42, pp. 10834–10848, 2007
  7. Probing Dyson orbitals with Green’s Function theory and Electron Momentum Spectroscopy
    Chemical Physics Letters, vol. 421, no. 1-3, pp. 52–57, 2006
  8. Valence one-electron and shake-up ionisation bands of polycyclic aromatic hydrocarbons. IV. The dibenzanthracene species
    Chemical Physics, vol. 329, no. 1-3, pp. 22–38, 2006
  9. Aromaticity of Giant Polycyclic Aromatic Hydrocarbons with Hollow Sites: Super Ring Currents in Super-Rings
    Chemistry - A European Journal, vol. 12, no. 22, pp. 5757–5769, 2006
  10. Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds
    Journal of Computational Chemistry, vol. 27, no. 14, pp. 1703–1722, 2006
  11. Study of the molecular structure, ionization spectrum, and electronic wave function of 1,3-butadiene using electron momentum spectroscopy and benchmark Dyson orbital theories
    The Journal of Chemical Physics, vol. 125, no. 10, p. 104309, 2006
  12. The Journal of Physical Chemistry A, vol. 109, no. 46, pp. 10535–10546, 2005
  13. The Journal of Physical Chemistry A, vol. 109, no. 41, pp. 9324–9340, 2005
  14. The Journal of Physical Chemistry A, vol. 109, no. 19, pp. 4267–4273, 2005
  15. Journal of the American Chemical Society, vol. 127, no. 48, pp. 16824–16834, 2005
  16. The Journal of Physical Chemistry A, vol. 108, no. 42, pp. 9244–9259, 2004
  17. Collision-energy-resolved Penning ionization electron spectroscopy of bromomethanes (CH[sub 3]Br, CH[sub 2]Br[sub 2], and CHBr[sub 3]) by collision with He[sup *](2[sup 3]S) metastable atoms
    The Journal of Chemical Physics, vol. 121, no. 7, p. 3074, 2004
  18. Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green’s function theories
    The Journal of Chemical Physics, vol. 121, no. 21, p. 10525, 2004
  19. Nucleation of organic semiconductors on inert substrates
    Physical Review B, vol. 68, no. 19, 2003
  20. The Journal of Physical Chemistry A, vol. 107, no. 26, pp. 5168–5180, 2003
  21. Journal of the American Chemical Society, vol. 125, no. 23, pp. 7129–7138, 2003
  22. Journal of the American Chemical Society, vol. 125, no. 50, pp. 15683–15683, 2003
  23. High level theoretical study of the structure and rotational barriers of trans-stilbene
    The Journal of Chemical Physics, vol. 118, no. 17, p. 7823, 2003
  24. Benchmark theoretical study of the ionization threshold of benzene and oligoacenes
    The Journal of Chemical Physics, vol. 119, no. 6, p. 3106, 2003
  25. Theoretical study of the internal elimination reactions of xanthate precursors
    Journal of Computational Chemistry, vol. 24, no. 16, pp. 2023–2031, 2003
  26. Theoretical study of the internal conversion of sulfoxide precursors of poly-isothianaphthene and related polymers
    Journal of Computational Chemistry, vol. 25, no. 1, pp. 40–50, 2003
  27. The issues of size and charge consistency and the implications of translation symmetry in advanced Green's function theories
    International Journal of Quantum Chemistry, vol. 93, no. 3, pp. 191–211, 2003
  28. Computational study of the structural and vibrational properties of ten and twelve vertex closo-carboranes
    Chemical Physics, vol. 286, no. 1, pp. 45–61, 2003
  29. Journal of the American Chemical Society, vol. 124, no. 25, pp. 7563–7572, 2002
  30. High-level theoretical study of the conformational equilibrium of n-pentane
    The Journal of Chemical Physics, vol. 116, no. 4, p. 1296, 2002
  31. Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene
    The Journal of Chemical Physics, vol. 116, no. 16, p. 7012, 2002
  32. The Journal of Physical Chemistry A, vol. 106, no. 23, pp. 5626–5637, 2002
  33. The Journal of Physical Chemistry A, vol. 106, no. 37, pp. 8569–8582, 2002
  34. Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. I. Benzene, naphthalene, anthracene, naphthacene, and pentacene
    The Journal of Chemical Physics, vol. 115, no. 13, p. 5859, 2001
  35. Journal of the American Chemical Society, vol. 123, no. 17, pp. 4049–4061, 2001
  36. Ab initio and density functional theory calculation of the structure and vibrational properties of n-vertex closo-carboranes, n=5, 6 and 7
    Chemical Physics, vol. 271, no. 1-2, pp. 17–30, 2001
  37. Comparative study of the molecular structure of stilbene using molecular mechanics, Hartree–Fock and density functional theories
    Journal of Molecular Structure: THEOCHEM, vol. 549, no. 1-2, pp. 63–67, 2001
  38. Molecular packing of oligomer chains of poly(p-phenylene vinylene)
    Chemical Physics Letters, vol. 339, no. 3-4, pp. 216–222, 2001
  39. Theoretical study of the vertical electron excitation of linear carbon clusters C3, C5, and C7
    International Journal of Quantum Chemistry, vol. 85, no. 4-5, pp. 475–491, 2001
  40. Temperature effects on the UV-Vis electronic spectrum of trans-stilbene
    International Journal of Quantum Chemistry, vol. 85, no. 4-5, pp. 557–568, 2001
  41. Calculation of molecular response properties with the second-order coupled perturbed electron propagator
    International Journal of Quantum Chemistry, vol. 77, no. 3, pp. 625–640, 2000
  42. Optical properties of trans-stilbene using semiempirical and time-dependent density functional theory: A comparative study
    International Journal of Quantum Chemistry, vol. 80, no. 4-5, pp. 672–680, 2000
  43. On the wetting of saturated hydrocarbon surfaces. An exploratory molecular investigation
    Journal of Molecular Structure: THEOCHEM, vol. 501-502, no. 1-2, pp. 535–538, 2000
  44. The Journal of Physical Chemistry A, vol. 104, no. 7, pp. 1588–1596, 2000
  45. The Journal of Physical Chemistry A, vol. 104, no. 24, pp. 5855–5860, 2000
  46. Can Benzylic Amide [2]Catenane Rings Rotate on Graphite?
    Journal of the American Chemical Society, vol. 122, no. 6, pp. 1130–1143, 2000
  47. Valence one-electron and shake-up ionization bands of carbon clusters. II. The C[sub n] (n=4,6,8,10) rings
    The Journal of Chemical Physics, vol. 112, no. 12, p. 5325, 2000
  48. Valence electron momentum spectroscopy of n-butane
    The Journal of Chemical Physics, vol. 112, no. 18, p. 8043, 2000
  49. Inelastic neutron scattering spectroscopy of C 60 @calix[8]arene
    Molecular Physics, vol. 98, no. 9, pp. 567–572, 2000
  50. Valence correlation bands of model oligomers of polyethylene: A Green’s function study by the band-Lanczos approach
    The Journal of Chemical Physics, vol. 110, no. 12, p. 6014, 1999
  51. Valence one-electron and shake-up ionization bands of carbon clusters. I. The C[sub n] (n=3,5,7,9) chains
    The Journal of Chemical Physics, vol. 111, no. 13, p. 5851, 1999
  52. Journal of the American Chemical Society, vol. 121, no. 22, pp. 5281–5286, 1999
  53. Journal of the American Chemical Society, vol. 121, no. 11, pp. 2364–2379, 1999
  54. The Journal of Physical Chemistry A, vol. 103, no. 26, pp. 5137–5151, 1999
  55. Investigation of the valence electronic structure of n-butane using (e,2e) spectroscopy
    Chemical Physics Letters, vol. 296, no. 5-6, pp. 605–610, 1998
  56. The Journal of Physical Chemistry A, vol. 102, no. 35, pp. 6910–6915, 1998
  57. Journal of the American Chemical Society, vol. 120, no. 26, pp. 6458–6467, 1998
  58. Inelastic neutron scattering of large molecular systems: The case of the original benzylic amide [2]catenane
    The Journal of Chemical Physics, vol. 109, no. 24, p. 11094, 1998
  59. The Journal of Physical Chemistry B, vol. 101, no. 6, pp. 884–890, 1997
  60. Correlation effects in the valence x-ray photoionization spectra of ethylene, butadiene, and hexatriene
    International Journal of Quantum Chemistry, vol. 63, no. 2, pp. 465–481, 1997
  61. The coupled perturbed electron propagator in the two-particle-hole and extended two-particle-hole Tamm-Dancoff approximations
    International Journal of Quantum Chemistry, vol. 63, no. 2, pp. 483–509, 1997
  62. Formation of satellite bands in the ionization spectra of extended systems
    Physical Review B, vol. 53, no. 20, pp. 13326–13339, 1996
  63. Evidence for a partial breakdown of the molecular orbital picture in the ionization spectra of large saturated hydrocarbons
    The Journal of Chemical Physics, vol. 105, no. 17, p. 7583, 1996
  64. Many-body Green's function study of the valence band formation of polyoxymethylene
    Physica Scripta, vol. 51, no. 1, pp. 111–125, 1995
  65. European Journal of Physics, vol. 16, no. 4, pp. 179–186, 1995
  66. Size consistency and size extensivity of linear response properties using the perturbed electron propagator
    The Journal of Chemical Physics, vol. 102, no. 22, p. 8967, 1995
  67. Gauge invariance of linear response properties using the perturbed electron propagator
    The Journal of Chemical Physics, vol. 102, no. 15, p. 6128, 1995
  68. On the size-dependence of the static self-energy in propagator calculations
    The Journal of Chemical Physics, vol. 103, no. 9, p. 3578, 1995
  69. Journal of Physical Chemistry, vol. 98, no. 9, pp. 2382–2396, 1994
  70. Journal of the American Chemical Society, vol. 116, no. 23, pp. 10715–10724, 1994
  71. Dependence of the electronic structure on the chain geometry in stereoregular polypropylene: An exploratory theoretical study
    International Journal of Quantum Chemistry, vol. 52, no. S28, pp. 469–480, 1994
  72. An XPS valence band study of alkane chains secondary structure
    Surface and Interface Analysis, vol. 22, no. 1-12, pp. 507–510, 1994
  73. Plane wave and orthogonalized plane wave many-body Green's function calculations of photoionization intensities
    Molecular Physics, vol. 83, no. 4, pp. 655–686, 1994
  74. Evidence in the XPS valence band of the fold structure at the surface of polyethylene lamellae
    Chemical Physics Letters, vol. 210, no. 1-3, pp. 21–24, 1993
  75. Journal of Physical Chemistry, vol. 97, no. 19, pp. 5115–5123, 1993
  76. Diagonal 2ph-TDA Green's function simulation of the valence X-ray photoelectron spectra of n-alkane compounds: a theoretical search for conformational signatures
    Chemical Physics, vol. 175, no. 2-3, pp. 427–446, 1993
  77. Second-order Green's function study of valence band formation of linear alkanes
    Journal of Electron Spectroscopy and Related Phenomena, vol. 60, no. 1, pp. 37–56, 1992
  78. Insights into the molecular structure and chemical bonding of regular oligomers and polymers from their XPS valence spectra
    Journal of Molecular Structure: THEOCHEM, vol. 261, no. 1, pp. 187–202, 1992
  79. Second-order Green's function calculations of the ionization potential of a (H2)7 chain embedded in a homogeneous electric field
    Theoretica Chimica Acta, vol. 82, no. 3-4, pp. 309–319, 1992
  80. Application of the Green's function theory to the calculation of ionization potentials of model oligomeric systems
    International Journal of Quantum Chemistry, vol. 41, no. 2, pp. 243–255, 1992
  81. Second-order Green's function simulations of the valenceXPS spectra of unsaturated hydrocarbons
    International Journal of Quantum Chemistry, vol. 44, no. S26, pp. 31–53, 1992
  82. Size-consistency aspects and physical interpretation of many-body Green’s-function calculations on extended chains
    Physical Review B, vol. 46, no. 24, pp. 15668–15682, 1992