Lawrence Harding

Articles in Scholarly Journals [Incomplete List]

  1. Kinetics of CH + N2 Revisited with Multireference Methods
    Journal of Physical Chemistry A, vol. 112, no. 3, pp. 522–532, 2008
  2. Thermal Decomposition of CF3 and the Reaction of CF2 + OH ? CF2O + H
    Journal of Physical Chemistry A, vol. 112, no. 1, pp. 31–37, 2008
  3. Kinetics of the Reaction of Methyl Radical with Hydroxyl Radical and Methanol Decomposition
    Journal of Physical Chemistry A, vol. 111, no. 19, pp. 3932–3950, 2007
  4. Direct Measurement and Theoretical Calculation of the Rate Coefficient for Cl + CH3 in the Range from T = 202-298 K
    Journal of Physical Chemistry A, vol. 111, no. 6, pp. 1015–1023, 2007
  5. On the Combination Reactions of Hydrogen Atoms with Resonance-Stabilized Hydrocarbon Radicals
    Journal of Physical Chemistry A, vol. 111, no. 19, pp. 3789–3801, 2007
  6. Reflected Shock Tube and Theoretical Studies of High-Temperature Rate Constants for OH + CF3H CF3 + H2O and CF3 + OH ? Products
    Journal of Physical Chemistry A, vol. 111, no. 29, pp. 6822–6831, 2007
  7. Ab initio methods for reactive potential surfaces
    Physical Chemistry Chemical Physics, vol. 9, no. 31, p. 4055, 2007
  8. Secondary Kinetics of Methanol Decomposition: Theoretical Rate Coefficients for 3CH2 + OH, 3CH2 + 3CH2, and 3CH2 + CH3
    Journal of Physical Chemistry A, vol. 111, no. 35, pp. 8699–8707, 2007
  9. Interpolating moving least-squares methods for fitting potential energy surfaces: An application to the H[sub 2]CN unimolecular reaction
    The Journal of Chemical Physics, vol. 126, no. 10, p. 104105, 2007
  10. On the formation and decomposition of C7H8?
    Proceedings of the Combustion Institute, vol. 31, no. 1, pp. 221–229, 2007
  11. Decomposition of acetaldehyde: Experiment and detailed theory?
    Proceedings of the Combustion Institute, vol. 31, no. 1, pp. 167–174, 2007
  12. Experimental and theoretical rate constants for CH4 + O2 ? CH3 + HO2
    Combustion and Flame, vol. 149, no. 1-2, pp. 104–111, 2007
  13. Performance of the Spin-Flip and Multireference Methods for Bond Breaking in Hydrocarbons: A Benchmark Study
    Journal of Physical Chemistry A, vol. 111, no. 50, pp. 13264–13271, 2007
  14. Dissociative ionization of hot C3H5 radicals
    Molecular Physics, vol. 105, no. 11, pp. 1517–1534, 2007
  15. Methyl radical: ab initio global potential surface, vibrational levels and partition function
    Molecular Physics, vol. 104, no. 1, pp. 73–81, 2006
  16. Predictive theory for the combination kinetics of two alkyl radicals
    Physical Chemistry Chemical Physics, vol. 8, no. 10, p. 1133, 2006
  17. The Journal of Physical Chemistry A, vol. 109, no. 21, pp. 4646–4656, 2005
  18. Reactions of oxygen atoms with hydrocarbon radicals: a priori kinetic predictions for the CH+O, CH+O, and CH+O reactions
    Proceedings of the Combustion Institute, vol. 30, no. 1, pp. 985–993, 2005
  19. Rate constants for D+CH?CHD+H at high temperature: implications to the high pressure rate constant for H+CH?CH
    Proceedings of the Combustion Institute, vol. 30, no. 1, pp. 965–973, 2005
  20. The Journal of Physical Chemistry A, vol. 108, no. 16, pp. 3403–3405, 2004
  21. The Journal of Physical Chemistry A, vol. 108, no. 41, pp. 8980–8986, 2004
  22. The Roaming Atom: Straying from the Reaction Path in Formaldehyde Decomposition
    Science, vol. 306, no. 5699, pp. 1158–1161, 2004
  23. Implementation of a fast analytic ground state potential energy surface for the N([sup 2]D)+H[sub 2] reaction
    The Journal of Chemical Physics, vol. 119, no. 6, p. 3063, 2003
  24. A quasiclassical trajectory study of the reaction OH+CO?H+CO[sub 2]
    The Journal of Chemical Physics, vol. 119, no. 12, p. 5848, 2003
  25. The Journal of Physical Chemistry A, vol. 107, no. 49, pp. 10533–10543, 2003
  26. The Journal of Physical Chemistry A, vol. 106, no. 11, pp. 2727–2747, 2002
  27. The Journal of Physical Chemistry A, vol. 106, no. 36, pp. 8261–8270, 2002
  28. A theoretical analysis of the CH3+H reaction: isotope effects, the high-pressure limit, and transition state recrossing
    Proceedings of the Combustion Institute, vol. 29, no. 1, pp. 1229–1236, 2002
  29. Resolving the mystery of prompt CO2: The HCCO+O2 reaction
    Proceedings of the Combustion Institute, vol. 29, no. 1, pp. 1209–1217, 2002
  30. The Journal of Physical Chemistry B, vol. 106, no. 33, pp. 8148–8160, 2002
  31. Construction of reproducing kernel Hilbert space potential energy surfaces for the 1?A[sup "] and 1?A[sup '] states of the reaction N([sup 2]D)+H[sub 2]
    The Journal of Chemical Physics, vol. 114, no. 9, p. 3945, 2001
  32. Comment on “On the high pressure rate constants for the H/Mu + O2 addition reactions’' by J. M. C. Marques and A. J. C. Varandas, Phys. Chem. Chem. Phys., 2001, 3, 505
    Physical Chemistry Chemical Physics, vol. 3, no. 13, pp. 2630–2631, 2001
  33. Mapping the OH+CO→HOCO reaction pathway through IR spectroscopy of the OH–CO reactant complex
    Faraday Discussions, vol. 118, pp. 373–385, 2001
  34. A direct transition state theory based analysis of the branching in NH2 + NO
    Faraday Discussions, vol. 119, no. 1, pp. 207–222, 2001
  35. The Journal of Physical Chemistry A, vol. 105, no. 36, pp. 8361–8369, 2001
  36. Theoretical kinetic estimates for the recombination of hydrogen atoms with propargyl and allyl radicals
    Symposium (International) on Combustion, vol. 28, no. 2, pp. 1503–1509, 2000
  37. Initiation in H2/O2: Rate constants for H2+O2?H+HO2 at high temperature
    Symposium (International) on Combustion, vol. 28, no. 2, pp. 1471–1478, 2000
  38. The Journal of Physical Chemistry A, vol. 104, no. 11, pp. 2351–2354, 2000
  39. A new potential surface and quasiclassical trajectory study of H+H[sub 2]O?OH+H[sub 2]
    The Journal of Chemical Physics, vol. 113, no. 8, p. 3150, 2000
  40. Statistical rate theory for the HO+O?HO[sub 2]?H+O[sub 2] reaction system: SACM/CT calculations between 0 and 5000 K
    The Journal of Chemical Physics, vol. 113, no. 24, p. 11019, 2000
  41. The Journal of Physical Chemistry A, vol. 104, no. 45, pp. 10131–10138, 2000
  42. Classical trajectory calculations of the high pressure limiting rate constants and of specific rate constants for the reaction H+O2?HO2: dynamic isotope effects between tritium+O2 and muonium+O2
    Physical Chemistry Chemical Physics, vol. 2, no. 4, pp. 631–642, 2000
  43. Exploring the OH+CO reaction coordinate via infrared spectroscopy of the OH–CO reactant complex
    The Journal of Chemical Physics, vol. 113, no. 22, p. 9889, 2000
  44. The Journal of Physical Chemistry A, vol. 104, no. 11, pp. 2301–2307, 2000
  45. Ab initio studies on the singlet–triplet splitting of methylene (CH2)
    The Journal of Chemical Physics, vol. 67, no. 4, p. 1777, 1999
  46. The Journal of Physical Chemistry A, vol. 103, no. 47, pp. 9388–9398, 1999
  47. New studies of the unimolecular reaction NO2O+NO. Part 2. Relation between high pressure rate constants and potential parameters
    Physical Chemistry Chemical Physics, vol. 1, no. 1, pp. 63–72, 1999
  48. A theoretical study of the kinetics of C2H3+H
    Physical Chemistry Chemical Physics, vol. 1, no. 6, pp. 989–997, 1999
  49. Reaction of H with highly vibrationally excited water: activated or not?
    Faraday Discussions, vol. 113, pp. 151–165, 1999
  50. An empirical potential energy surface for the Ne–OH/D complexes
    The Journal of Chemical Physics, vol. 111, no. 22, p. 10053, 1999
  51. Ab initio theoretical results on the stability of cyclic ozone
    The Journal of Chemical Physics, vol. 67, no. 5, p. 2377, 1999
  52. The Journal of Physical Chemistry A, vol. 102, no. 39, pp. 7653–7661, 1998
  53. A theoretical analysis of the reaction of H with C2H5
    Symposium (International) on Combustion, vol. 27, no. 1, pp. 151–157, 1998
  54. Ab initio calculations of force fields for H2CN and C1HCN and vibrational energies of H2CN
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 53, no. 8, pp. 1179–1188, 1997
  55. A theoretical study of solid hydrogens doped with atomic oxygen
    The Journal of Chemical Physics, vol. 106, no. 3, p. 942, 1997
  56. A global A-state potential surface for H[sub 2]O: Influence of excited states on the O([sup 1]D)+H[sub 2] reaction
    The Journal of Chemical Physics, vol. 107, no. 7, p. 2340, 1997
  57. Potential energy surface and quasiclassical trajectory studies of the CN+H2 reaction
    The Journal of Chemical Physics, vol. 105, no. 2, p. 558, 1996
  58. A global H2O potential energy surface for the reaction O(1D)+H2?OH+H
    The Journal of Chemical Physics, vol. 105, no. 23, p. 10472, 1996
  59. Importance of hindered rotations in the thermal dissociation of small unsaturated molecules: Classical formulation and application to HCN and HCCH
    The Journal of Chemical Physics, vol. 105, no. 18, p. 8075, 1996
  60. The Journal of Physical Chemistry, vol. 100, no. 24, pp. 10123–10130, 1996
  61. The Journal of Physical Chemistry, vol. 100, no. 18, pp. 7541–7549, 1996
  62. Theoretical studies of collisional relaxation of highly excited SO2 in an Ar bath
    Faraday Discussions, vol. 102, p. 389, 1995
  63. Differential cross sections for fine structure transitions in O(3P2)+Ar collisions
    The Journal of Chemical Physics, vol. 100, no. 11, p. 8026, 1994
  64. Journal of Physical Chemistry, vol. 97, no. 21, pp. 5472–5481, 1993
  65. The formaldehyde decomposition chain mechanism
    International Journal of Chemical Kinetics, vol. 25, no. 4, pp. 285–303, 1993
  66. A quasiclassical trajectory study of OH rotational excitation in OH+CO collisions using ab initio potential surfaces
    The Journal of Chemical Physics, vol. 96, no. 10, p. 7465, 1992
  67. Journal of Physical Chemistry, vol. 95, no. 3, pp. 1035–1040, 1991
  68. Journal of Physical Chemistry, vol. 95, no. 22, pp. 8653–8660, 1991
  69. Journal of Physical Chemistry, vol. 93, no. 24, pp. 8004–8013, 1989
  70. An improved long range potential for O(1D)+H2
    The Journal of Chemical Physics, vol. 88, no. 12, p. 7653, 1988
  71. The electronic states of Si2 and Si-2 as revealed by photoelectron spectroscopy
    The Journal of Chemical Physics, vol. 87, no. 9, p. 5116, 1987
  72. State-to-state chemistry with fast hydrogen atoms. Reaction and collisional excitation in H + CO2
    Faraday Discussions of the Chemical Society, vol. 84, p. 359, 1987
  73. Theoretical studies of the energetics and mechanisms of chemical reactions: abstraction reactions
    Journal of Physical Chemistry, vol. 90, no. 3, pp. 344–356, 1986
  74. Journal of Physical Chemistry, vol. 90, no. 13, pp. 2974–2987, 1986
  75. Coupled channel calculation of resonances in H+CO
    The Journal of Chemical Physics, vol. 84, no. 9, p. 4888, 1986
  76. Ab initio calculations of electronic and vibrational energies of HCO and HOC
    The Journal of Chemical Physics, vol. 85, no. 2, p. 911, 1986
  77. The photoelectron spectroscopy of HO-2
    The Journal of Chemical Physics, vol. 83, no. 11, p. 5400, 1985
  78. Journal of Physical Chemistry, vol. 89, no. 15, pp. 3324–3325, 1985
  79. Inclusion and assessment of Renner–Teller coupling in transition state theory for ? states: Application to O(3P)+H2
    The Journal of Chemical Physics, vol. 82, no. 4, p. 1866, 1985
  80. Vibrational energy levels of formaldehyde
    The Journal of Chemical Physics, vol. 82, no. 9, p. 4155, 1985
  81. Journal of Physical Chemistry, vol. 87, no. 7, pp. 1145–1153, 1983
  82. Journal of Physical Chemistry, vol. 87, no. 3, pp. 441–446, 1983
  83. Journal of Physical Chemistry, vol. 86, no. 22, pp. 4312–4327, 1982
  84. An ab initio determination of the rate constant for H2+C2H?H+C2H2
    The Journal of Chemical Physics, vol. 76, no. 10, p. 5172, 1982
  85. An ab initio determination of the rate constant for H+H2CO ?H2+HCO
    The Journal of Chemical Physics, vol. 76, no. 8, p. 4296, 1982
  86. Journal of the American Chemical Society, vol. 103, no. 9, pp. 2169–2173, 1981
  87. Journal of the American Chemical Society, vol. 103, no. 25, pp. 7469–7475, 1981
  88. Journal of Physical Chemistry, vol. 85, no. 1, pp. 10–11, 1981
  89. Journal of the American Chemical Society, vol. 102, no. 2, pp. 439–449, 1980
  90. Journal of the American Chemical Society, vol. 100, no. 23, pp. 7180–7188, 1978
  91. Journal of the American Chemical Society, vol. 99, no. 13, pp. 4520–4523, 1977
  92. Journal of the American Chemical Society, vol. 99, no. 3, pp. 677–683, 1977
  93. Journal of the American Chemical Society, vol. 99, no. 9, pp. 2919–2925, 1977
  94. Journal of the American Chemical Society, vol. 98, no. 20, pp. 6093–6099, 1976