J. N. L. CONNOR · 4 PUBLICATIONS (continued) 27. J.N.L. Connor . A new theory of large angle elastic scattering in chemically reactive systems. Proceedings of the 5th International

1

(Jan 2018) J. N. L. CONNOR

PUBLICATIONS

•: Refereed Item. C: Faraday Discussion Comment. R: Review. B: Book Review. •1. P.W. Atkins and J.N.L. Connor Relaxation studies, VI. Magnetic resonance in the presence of general

perturbations. Molecular Physics, 13, 201–219 (1967). •2. J.N.L. Connor On the analytical description of resonance tunnelling reactions. Molecular Physics, 15, 37–46 (1968). •3. J.N.L. Connor On the semiclassical description of molecular orbiting collisions. Molecular Physics, 15, 621–631 (1968). •4. J.N.L. Connor On the phase shift for orbiting collisions. Molecular Physics, 16, 525–526 (1969). •5. J.N.L. Connor On the semiclassical approximation for double well potentials. Chemical Physics Letters, 4, 419–420 (1969).

•6. J.N.L. Connor and M.S. Child Differential cross sections for chemically reactive systems. Molecular Physics, 18, 653–679 (1970). •7. J.N.L. Connor On the theory of the phase shifts for resonance tunnelling reactions. Molecular Physics, 19, 65–74 (1970). •8. J.N.L. Connor and R.A. Marcus Theory of reactive collisions: conformal transformation. Journal of Chemical Physics. 53, 3188–3193 (1970). •9. J.N.L. Connor Semiclassical analysis of field emission through atoms adsorbed on metal

surfaces. Physical Review, B 3, 1050–1052 (1971).

2

PUBLICATIONS (continued)

•10. J.N.L. Connor and R.A. Marcus Theory of semiclassical transition probabilities for inelastic and reactive

collisions. II. Asymptotic evaluation of the S matrix. Journal of Chemical Physics, 55, 5636–5643 (1971). (See Reference 150 for a "Citation Classic" commentary on this paper.) •11. J.N.L. Connor Reduction of semiclassical phase shifts for potential scattering to resonance form. Molecular Physics, 23, 717–735 (1972). •12. J.N.L. Connor Asymptotic evaluation of multidimensional integrals for the S matrix in the

semiclassical theory of inelastic and reactive molecular collisions. Molecular Physics, 25, 181–191 (1973). •13. J.N.L. Connor Multidimensional canonical integrals for the asymptotic evaluation of the S

matrix in semiclassical collision theory. Faraday Discussions of the Chemical Society, 55, 51–58 (1973).

C•14. J.N.L. Connor Comment on integral representations in semiclassical mechanics. Faraday Discussions of the Chemical Society, 55, 76 (1973).

C•15. J.N.L. Connor Comment on uniform approximations in semiclassical collision theory. Faraday Discussions of the Chemical Society, 55, 120 (1973). •16. J.N.L. Connor Semiclassical eigenvalue equations for quasistationary states. Molecular Physics, 25, 1469–1473 (1973). •17. J.N.L. Connor Semiclassical theory of molecular collisions: three nearly coincident classical

trajectories. Molecular Physics, 26, 1217–1231 (1973). •18. J.N.L. Connor Evaluation of multidimensional canonical integrals in semiclassical collision

theory. Molecular Physics, 26, 1371–1377 (1973).

3

PUBLICATIONS (continued) •19. W.N. Whitton and J.N.L. Connor Wronskian analysis of resonance tunnelling reactions. Molecular Physics, 26, 1511–1520 (1973).

R•20. J.N.L. Connor Theory of molecular collisions and reactive scattering. Annual Reports on the Progress of Chemistry, Section A: Physical and Inorganic

Chemistry, 70, 5–30 (1973). •21. J.N.L. Connor Semiclassical theory of molecular collisions: many nearly coincident classical

trajectories. Molecular Physics, 27, 853–866 (1974). •22. J.N.L. Connor Uniform evaluation of the S matrix for elastic and inelastic collisions in

semiclassical collision theory. Chemical Physics Letters, 25, 611–613 (1974). •23. J.N.L. Connor Semiclassical theory of molecular collisions: real and complex–valued classical

trajectories for collinear atom Morse oscillator collisions. Molecular Physics, 28, 1569–1578 (1974). 24. J.N.L. Connor

Canonical integrals in semiclassical collision theory. "Quantum Chemistry – The State of Art." Proceedings of SRC Atlas Symposium No. 4 held at St. Catherine's College,

Oxford, 8–10 April 1974. Edited by V.R. Saunders and J. Brown. Atlas Computer Laboratory, Science Research Council, Didcot, Oxfordshire,

U.K., (1975) pp. 15–18.

•25. J.N.L. Connor, W. Jakubetz and J. Manz Exact quantum transition probabilities by the state path sum method: collinear F

+ H2 reaction. Molecular Physics, 29, 347–355 (1975). •26. J.N.L. Connor Regge pole analysis of large angle elastic scattering in chemically reactive

systems. Molecular Physics, 29, 745–759 (1975).

4

PUBLICATIONS (continued) 27. J.N.L. Connor A new theory of large angle elastic scattering in chemically reactive systems. Proceedings of the 5th International Symposium on Molecular Beams, 7–11 April

1975, Nice, France, Paper C6. •28. J.N.L. Connor and W. Jakubetz Interference effects in large angle elastic scattering of chemically reactive

systems. Chemical Physics Letters, 36, 29–33 (1975). •29. J.N.L. Connor Catastrophes and molecular collisions. Molecular Physics, 31, 33–55 (1976). •30. J.N.L. Connor, W. Jakubetz and J. Manz Exact quantum mechanical transition probabilities for the collinear reaction: H +

F2(v = 0) → HF(v' ≤ 11) + F. Chemical Physics Letters, 39, 75–78 (1976).

R•31. J.N.L. Connor

Meldola Medal Lecture. Molecular collisions and the semiclassical approximation.

Chemical Society Reviews, 5, 125–148 (1976). •32. J.N.L. Connor, J.B. Delos and C.E. Carlson On Regge trajectories for ion–atom and atom–atom potentials. Molecular Physics, 31, 1181–1190 (1976). •33. J.N.L. Connor, W. Jakubetz and C.V. Sukumar Exact quantum and semiclassical calculation of the positions and residues of

Regge poles for interatomic potentials. Journal of Physics B: Atomic and Molecular Physics, 9, 1783–1799 (1976). •34. J.N.L. Connor, W. Jakubetz and J. Manz Information theoretical analysis and collinear to three dimensional transformation

of reaction probabilities for F + H2, H + F2, H + Cl2 and D + Cl2. Chemical Physics, 17, 451–470 (1976). •35. J.N.L. Connor and H.R. Mayne Semiclassical theory of molecular collisions: collinear atom–harmonic oscillator

collisions with attractive interactions. Molecular Physics, 32, 1123–1135 (1976).

5

PUBLICATIONS (continued) •36. J.N.L. Connor, W. Jakubetz and J. Manz A numerical study of centrifugal effects on vibrational excitation in a simplistic

model reaction. Chemical Physics Letters, 44, 516–520 (1976). •37. J.N.L. Connor, W. Jakubetz and J. Manz Muonium chemistry: quantum mechanical calculations for the collinear reaction

Mu + F2(v = 0) → MuF(v' ≤ 3) + F. Chemical Physics Letters, 45, 265–270 (1977). •38. J.N.L. Connor, W. Jakubetz and J. Manz Vibrotational energy distribution of light–heavy–heavy atom reactions. Berichte der Bunsen-Gesellschaft für Physikalische Chemie, 81, 165–166 (1977). •39. J.N.L. Connor and W. Jakubetz Computational study and Regge pole analysis of interference effects in large

angle elastic scattering of chemically reactive systems. Molecular Physics, 33, 1619–1640 (1977).

C•40. J.N.L. Connor and W. Jakubetz Comment of the semiclassical calculation of Regge poles. Faraday Discussions of the Chemical Society, 62, 57 (1977).

C•41. W. Jakubetz and J.N.L. Connor Comment on the rotated–Morse cubic–spline representation of a potential energy

surface. Faraday Discussions of the Chemical Society, 62, 140–142 (1977).

C•42. W. Jakubetz and J.N.L. Connor

Comment on the Muckerman V potential energy surface for the F + H2 chemical reaction.

Faraday Discussions of the Chemical Society, 62, 324–325 (1977).

C•43. W. Jakubetz and J.N.L. Connor Comment on the accuracy of potential energy surfaces for the F + H2 chemical

reaction. Faraday Discussions of the Chemical Society, 62, 326–327 (1977). •44. J.N.L. Connor, W. Jakubetz and J. Manz Isotope effects in the reaction X + F2 → XF + F (X = Mu, H, D, T): A quantum

mechanical and information theoretic investigation. Chemical Physics, 28, 219–230 (1978).

6

PUBLICATIONS (continued) •45. J.N.L. Connor and W. Jakubetz Rainbow scattering in atomic collisions: A Regge pole analysis. Molecular Physics, 35, 949–964 (1978). •46. J.N.L. Connor, W. Jakubetz and J. Manz The F + H2(v = 0) → FH(v' ≤ 3) + H reaction: Quantum collinear reaction

probabilities on three different potential energy surfaces. Molecular Physics, 35, 1301–1323 (1978). •47. J.N.L. Connor and D.C. Mackay Accelerating the convergence of the zonal harmonic series representation in the

Schumann resonance problem. Journal of Atmospheric and Terrestrial Physics. 40, 977–980 (1978). •48. J.N.L. Connor and D.C. Mackay Evaluation of the background integral in complex angular momentum theories of

elastic scattering. Chemical Physics Letters, 59, 163–167 (1978).

B49. J.N.L. Connor Review of "Modern Theoretical Chemistry": Volume 1, "Dynamics of Molecular

Collisions, Part A"; Volume 2, "Dynamics of Molecular Collisions, Part B." Edited by W.H. Miller. Plenum, New York, 1976, pp. xiii + 318 and pp. xv + 380. Journal of the Chemical Society, Faraday Transactions 2: Molecular and

Chemical Physics, 74, 1748 (1978).

B50. J.N.L. Connor Review of "Advances in Chemical Physics", Volume 36. Edited by I. Prigogine and S.A. Rice. Wiley, New York, 1977, pp. ix + 541. Journal of the Chemical Society, Faraday Transactions 2: Molecular and

Chemical Physics, 74, 1753 (1978). •51. J.N.L. Connor, W. Jakubetz and A. Laganà Comparison of quasiclassical, transition state theory and quantum calculations of

rate constants and activation energies for the collinear reaction X + F2 → XF + F (X = Mu, H, D, T).

Journal of Physical Chemistry, 83, 73–78 (1979). •52. J.N.L. Connor and H.R. Mayne A non–integer Bessel uniform approximation for use in semiclassical collision

theory. Molecular Physics, 37, 1–13 (1979).

7

PUBLICATIONS (continued) •53. J.N.L. Connor and H.R. Mayne Application of a non–integer Bessel uniform approximation to inelastic molecular

collisions. Molecular Physics, 37, 15–25 (1979). •54. J.N.L. Connor and D.C. Mackay Calculation of angular distributions in complex angular momentum theories of

elastic scattering. Molecular Physics, 37, 1703–1712 (1979). •55. J.N.L. Connor and A. Laganà Quasiclassical dynamics of light + heavy–heavy atom reactions: the reaction X +

F2 → XF + F (X = Mu, H, D, T). Molecular Physics, 38, 657–667 (1979).

R•56. J.N.L. Connor Reactive molecular collision calculations. Computer Physics Communications, 17, 117–143 (1979). •57. J.N.L. Connor and A. Laganà Quasiclassical smooth sampling study of threshold behaviour for the collinear

reaction X + F2 → XF + F (X = Mu, H, D, T). Computer Physics Communications, 17, 145–148 (1979). •58. J.N.L. Connor, W. Jakubetz, J. Manz and J.C. Whitehead On the information theoretic synthesis of three dimensional vibrotational reaction

probabilities from collinear results. Chemical Physics, 39, 395–406 (1979). •59. J.N.L. Connor and D.C. Mackay Parametrized S matrix models of elastic scattering in chemically reactive systems. Chemical Physics, 40, 11–18 (1979). •60. J.N.L. Connor, A. Laganà, J.C. Whitehead, W. Jakubetz and J. Manz Uni– and bimodal product energy distributions for the reactions H + Cl2(v = 1)

and D + Cl2(v = 1). Chemical Physics Letters, 62, 479–482 (1979). •61. D.C. Clary and J.N.L. Connor Application of the vibrationally adiabatic and static distorted wave Born

approximations to the reaction H + F2(v = 0, j = 0) → HF(v', j') + F. Chemical Physics Letters, 66, 493–497 (1979).

8

PUBLICATIONS (continued) •62. J.N.L. Connor, D.C. Mackay and C.V. Sukumar Quantum and semiclassical calculation of Regge pole positions and residues for

complex optical potentials. Journal of Physics B: Atomic and Molecular Physics, 12, L515–L519 (1979). •63. D.C. Clary, J.N.L. Connor and C.J. Edge Quantum and quasiclassical study of the collinear reaction O(3P) + H2 → OH + H using a LEPS and fitted ab initio potential energy surface. Chemical Physics Letters, 68, 154–157 (1979).

C•64. J.N.L. Connor, W. Jakubetz, A. Laganà, J. Manz and J.C. Whitehead Comment on the product distributions of the H + Cl2 and D + Cl2 reactions. Faraday Discussions of the Chemical Society, 67, 120–122 (1979).

C•65. J.N.L. Connor, W. Jakubetz, A. Laganà, J. Manz and J.C. Whitehead Comment on an information theoretic 1D → 3D transformation for the product

distributions of chemical reactions. Faraday Discussions of the Chemical Society, 67, 123–124 (1979). •66. J.N.L. Connor, W. Jakubetz and J. Manz Quantum collinear reaction probabilities for vibrationally excited reactants: F +

H2(v ≤ 2) → FH(v' ≤ 5) + H. Molecular Physics, 39, 799–816 (1980). •67. J.N.L. Connor, W. Jakubetz, D.C. Mackay and C.V. Sukumar Properties of Regge pole positions and residues for interatomic potentials. Journal of Physics B: Atomic and Molecular Physic, 13, 1823–1837 (1980). •68. J.N.L. Connor, W. Jakubetz, J. Manz and J.C. Whitehead The reaction X + Cl2 → XCl + Cl (X = Mu, H, D). I. A new inversion procedure

for obtaining potential energy surfaces from experimental detailed and total rate coefficient data.

Journal of Chemical Physics, 72, 6209–6226 (1980). •69. D.C. Clary and J.N.L. Connor Distorted wave calculations for the three dimensional chemical reaction H + H2(v

≤ 2, j=0) → H2(v' ≤ 2, j', mj') + H. Chemical Physics, 48, 175–181 (1980).

9


R70. J.N.L. Connor Semiclassical theory of elastic scattering. "Semiclassical methods in molecular scattering and spectroscopy." Proceedings of the NATO Advanced Study Institute held in Cambridge, England,

in September, 1979. Edited by M.S. Child. Reidel, Dordrecht, The Netherlands, (1980) pp. 45–107. •71. B.C. Garrett, D.G. Truhlar, R.S. Grev, A.W. Magnuson and J.N.L. Connor Variational transition state theory, vibrationally adiabatic transmission

coefficients and the unified statistical model tested against accurate quantal rate constants for collinear F + H2, H + F2 and isotopic analogs.

Journal of Chemical Physics, 73, 1721–1728 (1980). •72. D.C. Clary and J.N.L. Connor The O(3P) + H2(v ≤ 2, j, mj) → OH(v' ≤ 2, j', mj') + H reaction: A vibrationally

adiabatic distorted wave study using a LEPS and fitted ab initio potential energy surface.

Molecular Physics, 41, 689–702 (1980). 73. J.N.L. Connor and A. Laganà Studio teorico della reazione H + Cl2 → HCl + Cl. La Chimica et l'Industria, 62, 260–261 (1980). •74. J.N.L. Connor, J.C. Whitehead, W. Jakubetz and A. Laganà On the differences between quasiclassical and quantum mechanical vibrational

product distributions in the collinear H + Cl2(v = 2) and D + Cl2(v = 2) reactions. Nuovo Cimento B 63, 116–124 (1981). •75. J.N.L. Connor Uniform semiclassical evaluation of Franck–Condon factors and inelastic atom–

atom scattering amplitudes. Journal of Chemical Physics 74, 1047–1052 (1981). •76. J.N.L. Connor, D. Farrelly and D.C. Mackay Complex angular momentum analysis of diffraction scattering in atomic

collisions. Journal of Chemical Physics, 74, 3278–3286 (1981).

10

PUBLICATIONS (continued) •77. D.C. Clary and J.N.L. Connor Vibrationally adiabatic distorted wave calculation for the rotationally excited

reaction H + H2(v = 0, j) → H2(v' = 0, j') + H. Journal of Chemical Physics, 74, 6991–6993 (1981).

•78. J.N.L. Connor and A.D. Smith Uniform semiclassical calculation of resonance energies and widths near a barrier

maximum. Molecular Physics, 43, 397–414 (1981).

R79. J.N.L. Connor Isotope effects and chemical reaction dynamics of muonium in the gas phase. Hyperfine Interactions, 8, 423–434 (1981). •80. J.N.L. Connor and D. Farrelly Molecular collisions and cusp catastrophes: Three methods for the calculation of

Pearcey's integral and its derivatives. Chemical Physics Letters, 81, 306–310 (1981). •81. D.C. Clary and J.N.L. Connor Comparison of the rotationally–adiabatic and vibrationally–adiabatic distorted

wave methods for the H + H2(v = 0, j = 0) → H2(v' = 0, j') + H and D + H2(v = 0, j = 0) → DH(v' = 0, j') + H chemical reactions.

Molecular Physics, 43, 621–639 (1981). •82. J.N.L. Connor and A. Laganà On the evaluation of the classical phase for reactive molecular collisions in

semiclassical collision theory. Molecular Physics, 44, 403–310 (1981). •83. J.N.L. Connor and D. Farrelly Theory of cusped rainbows in elastic scattering: uniform semiclassical

calculations using Pearcey's integral. Journal of Chemical Physics, 75, 2831–2846 (1981). •84. J.N.L. Connor, A. Laganà, A.F. Turfa and J.C. Whitehead Quasiclassical dynamics of light + heavy–heavy and heavy + heavy –light atom

reactions: The reaction X + F2 → XF + F (X = Mu, H). Journal of Chemical Physics, 75, 3301–3309 (1981).

11

PUBLICATIONS (continued) •85. D.C. Clary and J.N.L. Connor The vibrationally adiabatic distorted wave method for direct chemical reactions:

Application to X + F2(v = 0, j = 0) → XF(v', j', mj') + F (X = Mu, H, D, T). Journal of Chemical Physics, 75, 3329–3339 (1981). B86. J.N.L. Connor Review of "Molecular Interactions", Volume I. Edited by H. Ratajczak and W.J. Orville–Thomas. Wiley, Chichester, 1980, pp. xxi + 415. Endeavour 5, 92 (1981). B87. J.N.L. Connor Review of "Lecture Notes in Chemistry", Volume 11, "The Transfer of Molecular

Energies by Collision: Recent Quantum Treatments." By F.A. Gianturco. Springer, Berlin, 1979, pp. viii + 327. Journal of the Chemical Society, Faraday Transactions 2: Molecular and

Chemical Physics, 77, 552 (1981). •88. J.N.L. Connor, W. Jakubetz, A. Laganà, J. Manz and J.C. Whitehead The reaction X + Cl2 → XCl + Cl (X = Mu, H, D). II. Comparison of

experimental data with theoretical results derived from a new potential energy surface.

Chemical Physics, 65, 29–48 (1982). •89. J.N.L. Connor and A.D. Smith Comparison of quantum and semiclassical time delay resonance energies and

widths: the effect of nearby inner turning points. Molecular Physics, 45, 149–160 (1982). •90. J.N.L. Connor and P.R. Curtis A method for the numerical evaluation of the oscillatory integrals associated with

the cuspoid catastrophes: Application to Pearcey's integral and its derivatives. Journal of Physics A: Mathematical and General, 15, 1179–1190 (1982). •91. D.K. Bondi, D.C. Clary, J.N.L. Connor, B.C. Garrett and D.G. Truhlar Kinetic isotope effects in the Mu + H2 and Mu + D2 reactions: Accurate quantum

calculations for the collinear reactions and variational transition state theory predictions for one and three dimensions.

Journal of Chemical Physics, 76, 4986–4995 (1982).

12

PUBLICATIONS (continued) •92. J.N.L. Connor The energy dependence of Regge pole positions and residues for singular

interatomic potentials. Journal of Physics B: Atomic and Molecular Physics, 15, 1683–1692 (1982). •93. J.N.L. Connor, C.J. Edge, and A. Laganà Semiclassical and quasiclassical calculation of reaction probabilities for collinear

X + F2 → XF + F (X = Mu, H, D, T). Molecular Physics, 46, 1231–1249 (1982). •94. J.N.L. Connor and A.D. Smith Uniform semiclassical calculation of complex energy eigenvalues for two model

potentials. Chemical Physics Letters, 88, 559–563 (1982). •95. D.K. Bondi and J.N.L. Connor A new numerical method for collinear quantum reactive scattering using Delves'

coordinates: Application to the H + H2(n ≤ 7) → H2(m ≤ 7) + H chemical reaction.

Chemical Physics Letters, 92, 570–573 (1982).

C•96. J.N.L. Connor Comment on the calculation of complex eigenvalues. Faraday Discussions of the Chemical Society, 73, 399 (1982). 97. D. Bondi, J.N.L. Connor, J. Manz and J. Römelt Delves' coordinates – a universal tool for quantum calculations of collinear

reactions. Berichte der Bunsen-Gesellschaft für Physikalische Chemie, 86, 466 (1982).

•98. D.C. Clary and J.N.L. Connor Existence of a bound state for the three dimensional IHI molecule on a purely

repulsive potential energy surface. Chemical Physics Letters, 94, 81–84 (1983).

•99. D.K. Bondi, J.N.L. Connor, B.C. Garrett and D.G. Truhlar Test of variational transition state theory with a large curvature tunneling

approximation against accurate quantal reaction probabilities and rate coefficients for three collinear reactions with large reaction–path curvature: Cl + HCl, Cl + DCl, and Cl + MuCl.


13


•100. J.N.L. Connor and A.D. Smith Quantum complex rotation and uniform semiclassical calculations of complex

energy eigenvalues. Journal of Chemical Physics, 78, 6161–6172 (1983).

•101. J.N.L. Connor, P.R. Curtis and D. Farrelly A differential equation method for the numerical evaluation of the Airy, Pearcey

and swallowtail canonical integrals and their derivatives. Molecular Physics, 48, 1305–1330 (1983).

•102. D.C. Clary, J.N.L. Connor and H. Sun Glory undulations in total integral collision cross sections: centrifugal sudden

calculations for Ar – N2. Molecular Physics, 49, 1139–1147 (1983).

•103. D.K. Bondi, J.N.L. Connor, J. Manz and J. Römelt Exact quantum and vibrationally adiabatic quantum, semiclassical and

quasiclassical study of the collinear reactions Cl + MuCl, Cl + HCl, Cl + DCl. Molecular Physics, 50, 467–488 (1983).

•104. J.N.L. Connor, P.R. Curtis and D. Farrelly The uniform asymptotic swallowtail approximation: practical methods for

oscillating integrals with four coalescing saddle points. Journal of Physics A: Mathematical and General, 17, 283–310 (1984).

•105. D.C. Clary and J.N.L. Connor Isotope and potential energy surface effects in vibrational bonding. Journal of Physical Chemistry, 88, 2758–2764 (1984).

•106. J.N.L. Connor, T. Uzer, R.A. Marcus and A.D. Smith Eigenvalues of the Schrödinger equation for a periodic potential with nonperiodic

boundary conditions: A uniform semiclassical analysis. Journal of Chemical Physics, 80, 5095–5106 (1984).

•107. J.N.L. Connor, P.R. Curtis, C.J. Edge and A. Laganà The uniform asymptotic swallowtail approximation: Application to the collinear

H + F2 chemical reaction. Journal of Chemical Physics, 80, 1362–1363 (1984).

14


•108. J.N.L. Connor and W.J.E. Southall The reaction H + D2 → HD + D: Distorted wave calculations at Etrans (v = 0, j = 0) = 0.55 and 1.3 eV. Chemical Physics Letters, 108, 527–531 (1984).

•109. J.N.L. Connor and P.R. Curtis Differential equations for the cuspoid canonical integrals. Journal of Mathematical Physics, 25, 2895–2902 (1984).

•110. A.F. Turfa, J.N.L. Connor, B.J. Thijsse and J.J.M. Beenakker

A classical dynamics study of Senftleben–Beenakker effects in nitrogen gas. Physica A, 129, 439–454 (1985).

•111. D.K. Bondi and J.N.L. Connor Accurate quantum reaction probabilities for the collinear H + H2(n ≤ 7) → H2(m

≤ 7) + H chemical reaction using the Liu–Siegbahn–Truhlar– Horowitz potential energy surface.


•112. K–E. Thylwe and J.N.L. Connor A complex angular momentum theory of modified Coulomb scattering. Journal of Physics A: Mathematical and General, 18, 2957–2973 (1985).

•113. J.N.L. Connor and W.J.E. Southall The H + D2 → HD + D reaction at 0.55, 0.98, 1.10 and 1.30 eV: A distorted wave

study using a new distortion potential. Chemical Physics Letters, 123, 139–144 (1986).

•114. D.C. Clary, J.N.L. Connor and W.J.E. Southall Reactions of O(3P) with saturated hydrocarbons: Vibrationally adiabatic

distorted wave calculations of product rotational distributions for two triatomic model reactions.


R115. J.N.L. Connor The distorted wave theory of chemical reactions. "The Theory of Chemical Reaction Dynamics." Proceedings of the NATO Advanced Research Workshop, Orsay, France, June

17–30, 1985. Edited by D.C. Clary. Reidel, Dordrecht, The Netherlands (1986), pp. 247–283.

15


116. J.N.L. Connor and N. Sutin (Associate Guest Editors) Rudolph A. Marcus Commemorative Issue. Journal of Physical Chemistry, 90, No. 16 (1986).

•117. J.N.L. Connor

Marcus' contributions to the semiclassical theory of collisions and bound states. Journal of Physical Chemistry, 90, 3466 (1986).

•118. J.N.L. Connor and W.J.E. Southall An improved Bessel uniform approximation of non–integer order for use in

semiclassical collision theory: Application to vibrationally inelastic molecular collisions.

Journal of Physical Chemistry, 90, 3599–3603 (1986).

•119. G.C. Schatz, B. Amaee and J.N.L. Connor A centrifugal sudden distorted wave study of the Cl + HCl → ClH + Cl reaction:

Product rotational distributions. Chemical Physics Letters, 132, 1–5 (1986).

•120. J.N.L. Connor, D.C. Mackay and K–E. Thylwe Computational study and complex angular momentum analysis of elastic

scattering for complex optical potentials. Journal of Chemical Physics, 85, 6368–6379 (1986).

•121. J.N.L. Connor and K–E. Thylwe Theory of large angle elastic differential cross sections for complex optical

potentials: Semiclassical calculations using partial waves, l–windows, saddles and poles.


•122. G.C. Schatz, B. Amaee and J.N.L. Connor The centrifugal sudden distorted wave method for calculating cross sections for

chemical reactions: Angular distributions for Cl + HCl → ClH + Cl. Computer Physics Communications, 47, 45–53 (1987).

•123. J.N.L. Connor, W. Jakubetz and J.C. Whitehead Orientation dependence of the F + H2 reaction: Analysis of the angle–dependent

line–of–centres model. Journal of the Chemical Society, Faraday Transactions 2: Molecular and

Chemical Physics, 83, 1703–1718 (1987).

16


•124. B. Amaee, J.N.L. Connor, J.C. Whitehead, W. Jakubetz and G.C. Schatz Dynamics of heavy + light–heavy atom transfer reactions: The reaction Cl + HCl

→ ClH + Cl. Faraday Discussions of the Chemical Society, 84, 387–403 (1987).

C•125. J.N.L. Connor Comment on the theoretical treatment of reactions producing rotationally excited

OH molecules. Faraday Discussions of the Chemical Society, 84, 406–407 (1987).

C•126. J.N.L. Connor Comment on accurate three dimensional theories of reactive scattering. Faraday Discussions of the Chemical Society, 84, 407–408 (1987).

C•127. G.C. Schatz and J.N.L. Connor Comment on repulsive energy release in heavy + light–heavy atom reactions. Faraday Discussions of the Chemical Society, 84, 416–417 (1987).

C•128. B. Amaee, J.N.L. Connor, J.C. Whitehead, W. Jakubetz and G.C. Schatz

Comment on the rate coefficient of the Cl + HCl(v = 1) reaction. Faraday Discussions of the Chemical Society, 84, 418 (1987).

C•129. B. Amaee, J.N.L. Connor, J.C. Whitehead, W. Jakubetz and G.C. Schatz Comment on the semiclassical optical model. Faraday Discussions of the Chemical Society, 84, 418–419 (1987).

•130. G.C. Schatz, B. Amaee and J.N.L. Connor

A centrifugal sudden distorted wave study of the Cl + HCl → ClH + Cl reaction: Results for a scaled and fitted ab initio potential energy surface having a noncollinear reaction path.

Journal of Physical Chemistry, 92, 3190–3195 (1988).

17


131. J.N.L. Connor and W. Jakubetz Investigation of the orientation dependence of the F + H2 reaction using scaled

barrier functions in the angle–dependent line–of–centres model. "Selectivity in Chemical Reactions." Proceedings of the NATO Advanced Research Workshop, Bowness–on–Windermere, U.K., 7–11 September 1987. Edited by J.C. Whitehead. Kluwer, Dordrecht, The Netherlands (1988) pp. 323–339.

•132. K–E. Thylwe and J.N.L. Connor A new phase rule for rotationally inelastic diffraction scattering in atom–molecule

collisions. Journal of Physics B: Atomic, Molecular and Optical Physics, 21, L597–L602

(1988).

B133. J.N.L. Connor Review of "The Forces between Molecules." By M. Rigby, E.B. Smith, W.A. Wakeham and G.C. Maitland. Clarendon Press, Oxford, 1986, pp. x + 232. Journal of the Chemical Society, Faraday Transactions 2: Molecular and

Chemical Physics, 85, 1611 (1989).

134. J.N.L. Connor and W. Jakubetz Dynamics of the light atom transfer reaction: Cl + HCl → ClH + Cl. "Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small

Molecules." Proceedings of the NATO Advanced Research Workshop, Colombella di Perugia, Italy, 30 August – 3 September 1988. Edited by A. Laganà. Kluwer, Dordrecht, The Netherlands (1989) pp. 395–411.

•135. K–E. Thylwe and J.N.L. Connor Complex angular momentum analysis of rotationally inelastic diffraction

scattering in sudden atom–homonuclear–molecule collisions. Journal of Chemical Physics, 91, 1668–1687 (1989).

•136. Q. Sun, J.M. Bowman, G.C. Schatz, J.R. Sharp and J.N.L. Connor

Reduced–dimensionality quantum calculations of the thermal rate coefficient for the Cl + HCl → ClH + Cl reaction: Comparison with centrifugal–sudden distorted wave, coupled channel hyper-spherical, and experimental results.


18

PUBLICATIONS (continued) R137. J.N.L. Connor

Practical methods for the uniform asymptotic evaluation of oscillating integrals with several coalescing saddle points.

"Asymptotic and Computational Analysis." Edited by R. Wong. Dekker, New York, U.S.A. (1990) pp. 137–173.

•138. G.C. Schatz, B. Amaee and J.N.L. Connor A centrifugal–sudden distorted–wave study of the Cl + HCl → ClH + Cl reaction

using a "tight–bend" potential energy surface. Journal of Chemical Physics, 92, 4893–4898 (1990).

R•139. J.N.L. Connor New theoretical methods for molecular collisions: The complex angular

momentum approach (keynote article). Journal of the Chemical Society, Faraday Transactions, 86, 1627–1640 (1990).

•140. J.N.L. Connor, H. Sun and J.M. Hutson Exact and approximate calculations for the effect of potential anisotropy on

integral and differential cross sections: Ar – N2 rotationally inelastic scattering. Journal of the Chemical Society, Faraday Transactions, 86, 1649–1657 (1990).

•141. G.C. Schatz, B. Amaee and J.N.L. Connor

A centrifugal–sudden distorted–wave study of isotope effects for the reactions Cl + HCl → ClH + Cl and Cl + DCl → ClD + Cl.

Journal of Chemical Physics, 93, 5544–5551 (1990). B142. J.N.L. Connor

Review of "Lecture Notes in Physics, No. 300. Semiclassical Theory of Atoms." By B–G. Englert. Springer Verlag, Berlin, 1988, pp. vii + 401. Journal of the Chemical Society, Faraday Transactions, 86, 3048 (1990).

•143. D. Sokolovski and J.N.L. Connor Path integral analysis of the time delay for wave–packet scattering and the status

of complex tunneling times. Physical Review, A, 42, 6512–6525 (1990).

•144. J.N.L. Connor, P. McCabe and K–E. Thylwe Computational study of phase rules for rotationally inelastic diffraction scattering

in atom–molecule collisions. Journal of Physics B: Atomic, Molecular and Optical Physics, 24, 2503–2519

(1991).

19


•145. G.C. Schatz, D. Sokolovski and J.N.L. Connor Influence of transition state resonances on integral cross sections and product

rovibrational distributions for the Cl + HCl → ClH + Cl reaction. Journal of Chemical Physics, 94, 4311–4319 (1991).

•146. G.C. Schatz, D. Sokolovski and J.N.L. Connor

Resonances in heavy + light–heavy atom reactions: Influence on differential and integral cross sections and on transition state photodetachment spectra.

Faraday Discussions of the Chemical Society, 91, 17–30 (1991).

C•147. J.N.L. Connor Comment on cumulative reaction probabilities for chemical reactions. Faraday Discussions of the Chemical Society, 91, 388–389 (1991).

B148. J.N.L. Connor

Review of "Inverse Schrödinger Scattering in Three Dimensions." By R. G. Newton. Springer Verlag, Berlin, 1989, pp. x + 170.

Journal of the Chemical Society, Faraday Transactions, 87, 2258–2259 (1991). •149. D. Sokolovski and J.N.L. Connor

Negative probability and the distributions of dwell, transmission and reflection times for quantum tunneling.

Physical Review, A, 44, 1500–1504 (1991). R150. J.N.L. Connor

Uniform semiclassical collision theory. (A "Citation Classic" commentary on Reference 10.) a) Current Contents: Physical, Chemical and Earth Sciences, 31, No. 50, p. 10

(1991). b) Current Contents: Engineering, Technology and Applied Sciences, 22, No.

50, p. 10 (1991).

B151. J.N.L. Connor Review of "The Quantum Statistics of Dynamic Processes." By E. Fick and G. Sauermann, translated from German by W.D. Brewer. Springer–Verlag, Berlin, 1990, pp. xiii + 395.

Journal of the Chemical Society, Faraday Transactions, 88, 157–158 (1992).

20


R152. J.N.L. Connor, P.R. Curtis and R.A.W. Young Uniform asymptotics of oscillating integrals: Applications in chemical physics. "Wave Asymptotics." Edited by P.A. Martin and G.R. Wickham. Cambridge University Press, Cambridge, U.K. (1992), pp. 24–42.

•153. W. Jakubetz, D. Sokolovski, J.N.L. Connor and G.C. Schatz Comparison of quasiclassical and quantum dynamics for resonance scattering in

the Cl + HCl → ClH + Cl reaction. Journal of Chemical Physics, 97, 6451–6459 (1992). 154. J.N.L. Connor

The 1992 Nobel prize in chemistry. Molecular Dynamics News, No. 62, pp. 1–3 (1992). •155. M.A. Vincent, J.N.L. Connor, M.S. Gordon and G.C. Schatz

Ab initio electronic structure calculations of stationary points and barrier heights for the ClHCl and HCl2 systems.


•156. P. McCabe, J.N.L. Connor and K–E. Thylwe Complex angular momentum theory of molecular collisions: New phase rules for

rotationally inelastic diffraction scattering in atom homonuclear–molecule collisions.


•157. J.N.L. Connor and W. Jakubetz Orientation dependence of the F + H2 and H + F2 reactions using the line–of–

centres model with angle–dependent collision diameters and barrier heights. Journal of the Chemical Society, Faraday Transactions, 89, 1481–1486 (1993).

•158. D. Sokolovski and J.N.L. Connor Quantum interference and determination of the traversal time.

Physical Review, A, 47, 4677–4680 (1993). •159. J.N.L. Connor, P. McCabe, D. Sokolovski and G.C. Schatz

Nearside–farside analysis of angular scattering in elastic, inelastic and reactive molecular collisions.


21


•160. J.N.L. Connor and D. Farrelly Uniform semiclassical and quantum calculations of Regge pole positions and

residues for complex optical nuclear heavy–ion potentials. Physical Review, C, 48, 2419–2432 (1993). 161. G.C. Schatz, D. Sokolovski and J.N.L. Connor

A quantum scattering study of the Cl + HCl → ClH + Cl reaction: Centrifugal–sudden hyperspherical differential and integral cross sections, product distributions and rate coefficients.

"Advances in Molecular Vibrations and Collision Dynamics." Volume 2B, Edited by J.M. Bowman. JAI Press, Greenwich, Connecticut, U.S.A., (1994) pp. 1–26. •162. G.C. Schatz, D. Sokolovski and J.N.L. Connor

A coupled channel hyperspherical scattering study of the Cl + HCl → ClH + Cl reaction: Cumulative and state-selected probabilities, integral cross sections and product rotational distributions.

Canadian Journal of Chemistry, 72, 903–908 (1994), (John C. Polanyi special issue.)

•163. D. Sokolovski and J.N.L. Connor

Semiclassical tunneling through opaque barriers, external interactions and the traversal time wavefunction.

Solid State Communications, 89, 475–481 (1994). •164. D. Sokolovski, S. Brouard and J.N.L. Connor

Traversal time wavefunction analysis of resonance and non-resonance scattering. Physical Review, A, 50, 1240–1256 (1994). •165. D. Sokolovski, J.N.L. Connor and G.C. Schatz

New uniform semiclassical theory of resonance angular scattering for reactive molecular collisions.

Chemical Physics Letters, 238, 127–131 (1995). •166. D. Sokolovski, J.N.L. Connor and G.C. Schatz

Complex angular momentum analysis of resonance scattering in the Cl + HCl → ClH + Cl reaction.


22

PUBLICATIONS (continued) 167. J.N.L. Connor New theories of molecular collisions and chemical reactions. High Performance Computing at Manchester Newsletter, No. 3, pp. 2–6 (1995).

ISSN: 1358–2259. C•168. J.N.L. Connor

Comment on vibrationally inelastic scattering. Faraday Discussions, 101, 470–471 (1995).

•169. P. McCabe and J.N.L. Connor Nearside–farside analysis of differential cross sections: Diffraction and rainbow

scattering in atom–atom and atom–molecule rotationally inelastic sudden collisions.


•170. D. Sokolovski, J.N.L. Connor and G.C. Schatz Centrifugal–sudden hyperspherical study of Cl + HCl → ClH + Cl reaction

dynamics on "tight–bend" and "loose–bend" potential energy surfaces. Chemical Physics, 207, 461–476 (1996).

•171. J. Wimp, P. McCabe and J.N.L. Connor Computation of Jacobi functions of the second kind for use in nearside–farside

scattering theory. Journal of Computational and Applied Mathematics, 82, 447–464 (1997).

•172. C.S. Maierle, G.C. Schatz, M.S. Gordon, P. McCabe and J.N.L. Connor Coupled potential energy surfaces and quantum reactive scattering for the Cl(2P)

+ HCl → ClH + Cl(2P) reaction. Journal of the Chemical Society, Faraday Transactions, 93, 709–720 (1997).

•173. P. McCabe, J.N.L. Connor and D. Sokolovski Nearside–farside analysis of differential cross sections: Ar + N2 rotationally

inelastic scattering using associated Legendre functions of the first and second kinds.

Journal of Chemical Physics, 108, 5695–5703 (1998). •174. G.C. Schatz, P. McCabe and J.N.L. Connor

Quantum scattering studies of spin–orbit effects in the Cl(2P) + HCl → ClH + Cl(2P) reaction.

Faraday Discussions, 110, 139–157 (1998).

23


C•175. J.N.L. Connor and W. Jakubetz Comment on the potential energy surface for the F + H2 reaction.


C•176. J.N.L. Connor and A. J. Dobbyn Comment on angular scattering in the F + HD reaction.

Faraday Discussions, 110, 226–228 (1998). C•177. G.C. Schatz and J.N.L. Connor

Comment on spin–orbit effects in chemical reactions. Faraday Discussions, 110, 229–230 (1998).

C•178. A.J. Dobbyn, G.C. Schatz and J.N.L. Connor Comment on spin–orbit effects in the Cl + HCl reaction.


C•179. G.C. Schatz and J.N.L. Connor Comment on the J–shifting approximation.


C•180. J.N.L. Connor Comment on surface hopping.

Faraday Discussions, 110, 501–502 (1998)

C•181. W. Jakubetz and J.N.L. Connor Comment on non–adiabatic effects in the Mu + F2 reaction.


C•182. J.N.L. Connor Comment on natural collision coordinates.

Faraday Discussions, 110, 490 (1998). •183. J.J. Hollifield and J.N.L. Connor

Theory of elastic scattering in strongly absorptive collisions: Application of the Fuller nearside–farside method.

Physical Review, A 59, 1694–1696 (1999). 184. J.N.L. Connor

Chemical reaction theory. Physical Chemistry Chemical Physics, 1, No. 6, p. i (1999).

24

PUBLICATIONS (continued) •185. A.J. Dobbyn, J.N.L. Connor, N.A. Besley, P.J. Knowles and G.C. Schatz

Coupled ab initio potential energy surfaces for the reaction Cl(2P) + HCl → ClH + Cl(2P).

Physical Chemistry Chemical Physics, 1, 957–966 (1999). •186. A.J. Dobbyn, P. McCabe, J.N.L. Connor and J.F. Castillo

Nearside–farside analysis of state selected differential cross sections for reactive molecular collisions.

Physical Chemistry Chemical Physics, 1, 1115–1124 (1999). •187. W. Jakubetz, J.N.L. Connor and P.J. Kuntz

A classical–path surface–hopping study of Mu, H and T hot–atom collisions with F2.

Physical Chemistry Chemical Physics, 1, 1213–1225 (1999). •188. J.J. Hollifield and J.N.L. Connor

Nearside–farside theory of elastic angular scattering for strongly absorptive collisions.

Molecular Physics, 97, 293–304 (1999). •189. D. Sokolovski and J.N.L. Connor

Semiclassical nearside–farside theory for inelastic and reactive atom–diatom collisions.


C•190. J.N.L. Connor, G.C. Schatz and T.W.J. Whiteley Comment on the effect of spin orbit interactions on the dynamics of chemical

reactions. Faraday Discussions, 113, 220–221 (1999).

C•191. J.N.L. Connor

Comment on structure in differential cross sections for molecular collisions. Faraday Discussions, 113, 487–488 (1999). •192. T.W.J. Whiteley, A.J. Dobbyn, J.N.L. Connor and G.C. Schatz Quantum scattering on coupled ab initio potential energy surfaces for the Cl(2P)

+ HCl → ClH + Cl(2P) reaction. Physical Chemistry Chemical Physics, 2, 549–556 (2000).

25


193. J.N.L. Connor, P.A. Gorry and J.C. Whitehead

Roger Grice, 1941–1998. Physical Chemistry Chemical Physics. 2, No. 4, pp. i–ii (2000). •194. N.P. Kirk, J.N.L. Connor and C.A. Hobbs

An adaptive contour code for the numerical evaluation of the oscillatory cuspoid canonical integrals and their derivatives.

Computer Physics Communications, 132, 142–165 (2000). •195. N.P. Kirk, J.N.L. Connor, P.R. Curtis and C.A. Hobbs

Theory of axially symmetric cusped focusing: numerical evaluation of a bessoid integral by an adaptive contour algorithm.

Journal of Physics A: Mathematical and General, 33, 4797–4808 (2000). •196. D. Vrinceanu, A.Z. Msezane, D. Bessis, J.N.L. Connor and D. Sokolovski

Padé reconstruction of Regge poles from scattering matrix data for chemical reactions.


•197. P. McCabe, J.N.L. Connor and D. Sokolovski Nearside–farside analysis of differential cross sections using Jacobi functions of

the first and second kinds: Application to Ar + N2 rotationally inelastic scattering. Journal of Chemical Physics, 114, 5194–5206 (2001). •198. T.W.J. Whiteley, C. Noli and J.N.L. Connor

Nearside–farside analysis of differential cross sections: Ar + HF rotationally inelastic scattering.

Journal of Physical Chemistry, A, 105, 2792–2802 (2001). •199. C. Noli, J.N.L. Connor, N. Rougeau and C. Kubach

Nearside–farside analysis of differential cross sections: The reaction I + HI → IH + I.

Physical Chemistry Chemical Physics, 3, 3946–3954 (2001). B200. J.N.L. Connor

Review of "Chemical Modelling: Applications and Theory", Volume 1. Edited by A.Hinchliffe. Royal Society of Chemistry, Cambridge, 2000, pp. vi + 505.

Chemistry and Industry, No. 24, 806 (2001).

26


•201. C. Noli and J.N.L. Connor Nearside–farside analysis of differential cross sections: Resummation of a partial

wave series involving Legendre polynomials. Russian Journal of Physical Chemistry, Supplement No. 1, 76, S77–S89 (2002).

ISSN: 0036-0244. Also available at: http://arXiv.org/abs/physics/0301054. •202. R. Anni, J.N.L. Connor and C. Noli Improved nearside–farside method for elastic scattering amplitudes. Physical Review, C, 66, 044610, pp.1–11 (2002). Also available at: http://arXiv.org/abs/nucl-th/0207059. 203. I.N. Kozin, M.M. Law and J.N.L. Connor (editors) Wide-Amplitude Rovibrational Bound States in Polyatomic Molecules. Collaborative Computational Project on Molecular Quantum Dynamics (CCP6),

Daresbury Laboratory, Warrington, UK , 2002, pp. ix + 71, ISBN 0-9522736-8-3. •204. G.C. Schatz, M. Hankel, T.W.J. Whiteley, and J.N.L. Connor

Influence of spin-orbit effects on chemical reactions: Quantum scattering studies of the Cl(2P) + HCl → ClH + Cl(2P) reaction using coupled ab initio potential energy surfaces.

Journal of Physical Chemistry, A, 107, 7278–7289 (2003). •205. J.N.L. Connor

Theory of forward glory scattering for chemical reactions. Physical Chemistry Chemical Physics, 6, 377–390 (2004). •206. J.N.L. Connor and R. Anni

Local angular momentum-local impact parameter analysis: A new tool for understanding structure in the angular distributions of chemical reactions.

Physical Chemistry Chemical Physics, 6, 3364–3369 (2004). •207. R. Anni, J.N.L. Connor and C. Noli Improved nearside–farside decomposition of elastic scattering amplitudes. Khimicheskaya Fizika, 23, No. 2, 6–12 (2004). ISSN: 0207-401X. Also available at: http://arXiv.org/abs/physics/0410266 •208. J.N.L. Connor and C. A. Hobbs Numerical evaluation of cuspoid and bessoid oscillating integrals for applications

in chemical physics Khimicheskaya Fizika, 23, No. 2, 13–19 (2004). ISSN: 0207-401X. Also available at: http://arXiv.org/abs/physics/0411015

http://arxiv.org/abs/nucl-th/0207059

27

PUBLICATIONS (continued) C•209. J.N.L. Connor

Comment on forward angle scattering and local angular momentum in chemical reactions.

Faraday Discussions, 127, 105–106 (2004). C•210. J.N.L. Connor

Comment on the influence of spin-orbit effects on electronic non-adiabaticity in chemical reactions.

Faraday Discussions, 127, 107–108 (2004). •211. M. Hankel, J.N.L. Connor and G.C. Schatz,

Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl → ClH + Cl(2P) reaction.

Chemical Physics, 308, 225–236 (2005). •212. J.N.L. Connor

Theory of forward glory scattering for chemical reactions: New derivation of a uniform semiclassical formula for the scattering amplitude.

Molecular Physics, 103, 1715–1725 (2005). 213. S. Sen, D. Sokolovski and J.N.L. Connor (editors)

“Semiclassical and other methods for understanding molecular collisions and chemical reactions.”

Collaborative Computational Project on Molecular Quantum Dynamics (CCP6), Daresbury Laboratory, Warrington, UK, 2005,

pp. vi + 153. ISBN 0-9545289-3-X. 214. I. Rozum, J.N.L. Connor and G.C. Schatz

Quantum scattering dynamics of spin-orbit effects for the Cl(2P) + HCl → ClH + Cl(2P) reaction at high angular momenta.


Edited by S. Sen, D. Sokolovski and J.N.L. Connor Collaborative Computational Project on Molecular Quantum Dynamics (CCP6),

Daresbury Laboratory, Warrington, UK, 2005, pp.140-144. ISBN 0-9545289-3-X

28

PUBLICATIONS (continued) 215. P.D.D. Monks, J.N.L. Connor and S.C. Althorpe

Time-dependent angular distributions and nearside-farside analyses of the H + D2 → HD + D reaction.



Daresbury Laboratory, Warrington, UK, 2005, pp.112-118. ISBN 0-9545289-3-X 216. C. Xiahou and J.N.L. Connor

Accuracy of a uniform semiclassical approximation for the forward glory scattering of chemical reactions.



Daresbury Laboratory, Warrington, UK, 2005, pp. 44–49. ISBN 0-9545289-3-X. 217. J.N.L. Connor (special issue editor)

A Special Issue in Honour of Professor Mark Child. Molecular Physics, 104, No. 1 (2006). . 218. J.N.L. Connor

Mark Sheard Child. Molecular Physics, 104, 3-9 (2006).

•219. C. Xiahou and J.N.L. Connor

Theory of forward glory scattering for chemical reactions: Accuracy of semiclassical approximations using a J-shifted Eckart parameterization for the scattering matrix element.

Molecular Physics, 104, 159–175 (2006). •220. P.D.D. Monks, J.N.L. Connor and S.C. Althorpe

Theory of time-dependent reactive scattering: Cumulative time-evolving differential cross sections and nearside-farside analyses of time-dependent scattering amplitudes for the H + D2 → HD + D reaction.

Journal of Physical Chemistry, A, 110, 741–748 (2006).

29


•221. P.D.D. Monks, C. Xiahou and J.N.L. Connor Local angular momentum-local impact parameter analysis: Derivation and

properties of the fundamental identity, with applications to the F + H2, H + D2 and Cl + HCl chemical reactions.

Journal of Chemical Physics, 125, 133504, pp. 1–13 (2006).

•222. C.A. Hobbs, J.N.L. Connor and N.P. Kirk Theory and numerical evaluation of oddoids and evenoids: Oscillatory cuspoid

integrals with odd and even polynomial phase functions. Journal of Computational and Applied Mathematics, 207, 192–213 (2007). •223. P.D.D. Monks, J.N.L. Connor and S.C. Althorpe

Nearside-farside and local angular momentum analyses of time-independent scattering amplitudes for the H + D2(vi = 0, ji = 0)→ HD(vf = 3, jf = 0) + D reaction.

Journal of Physical Chemistry, A, 111, 10302–10312 (2007). 224. J.N.L. Connor, X. Shan, A.J. Totenhofer and C. Xiahou

New theoretical methods for understanding chemical reactions in the energy and time domains.

“Multidimensional quantum mechanics with trajectories.” Edited by D.V. Shalashilin and M.P. de Miranda

Collaborative Computational Project on Molecular Quantum Dynamics (CCP6), Daresbury Laboratory, Warrington, UK, 2009, pp. 38–47. ISBN 978-0-9545289-8-0.

•225. P.D.D. Monks, J.N.L. Connor and F. Bouakline

Filtering reaction dynamics using nearside-farside theory and local angular momentum theory: Application to the angular scattering of the H + D2(vi = 0, ji = 0) → HD(vf = 3, jf = 0) + D reaction in the energy and time domains.

Journal of Physical Chemistry, A, 113, 4746–4757 (2009). •226. C. Xiahou and J.N.L. Connor

A new rainbow: Angular scattering of the F + H2(vi = 0, ji = 0) → FH(vf = 3, jf = 3) + H reaction.


•227. A.J. Totenhofer, C. Noli and J.N.L. Connor Dynamics of the I + HI → IH + I reaction: Application of nearside-farside, local

angular momentum and resummation theories using the Fuller and Hatchell decompositions.

Physical Chemistry Chemical Physics, 12, 8772–8791 (2010).

30

PUBLICATIONS (continued) •228. X. Shan and J.N.L. Connor

Angular scattering using parameterized S matrix elements for the H + D2(vi = 0, ji = 0) → HD(vf = 3, jf = 0) + D reaction: An example of Heisenberg’s S matrix programme.

Physical Chemistry Chemical Physics, 13, 8392–8406 (2011). •229. C. Xiahou, J.N.L. Connor and D. H. Zhang

Rainbows and glories in the angular scattering of the state-to-state F + H2 reaction at Etrans = 0.04088 eV.


•230. X. Shan and J.N.L. Connor Semiclassical glory analyses in the time domain for the H + D2(vi = 0, ji = 0) →

HD(vf = 3, jf = 0) + D reaction. Journal of Chemical Physics, 136, 044315, pp. 1–18 (2012).

•231. X. Shan and J.N.L. Connor Application of Heisenberg’s S matrix program to the angular scattering of the H +

D2(vi = 0, ji = 0) → HD(vf = 3, jf = 0) + D reaction: Piecewise S matrix elements using linear, quadratic, step-function and top-hat parametrizations.

Journal of Physical Chemistry, A, 116, 11414-11426 (2012).

•232. J.N.L. Connor Resonance Regge poles and the state-to-state F + H2 reaction: QP decomposition, parameterized S matrix, and semiclassical complex angular

momentum analysis of the angular scattering. Journal of Chemical Physics, 138, 124310, pp. 1–21 (2013).

•233. C. Xiahou and J.N.L. Connor The 6Hankel asymptotic approximation for the uniform description of rainbows

and glories in the angular scattering of state-to-state chemical reactions: Derivation, properties and applications.


•234. X. Shan and J.N.L. Connor Application of Heisenberg’s S matrix program to the angular scattering of the

state-to-state F + H2 reaction. Journal of Physical Chemistry, A, 118, 6560–6573 (2014).

31

PUBLICATIONS (continued) •235. M. Hankel and J.N.L. Connor

Nearside-farside, local angular momentum and resummation theories: Useful tools for understanding the dynamics of complex-mode reactions.

AIP Advances, 5, 077160, pp. 1–18 (2015).

R236. J.N.L. Connor Methods for understanding the angular scattering of chemical reactions. Lecture presented at “Virtual Environments and Detailed Simulations of

Molecular Processes” Bettona, Italy, 4th -5th November 2015. VIRT&L-COMM, Special Issue, pp. 1–40 (2015). ISSN 2779-8773 Available at, http://www.hpc.unipg.it/ojs/index.php/virtlcomm/article/view/83.

•237. A.J. Totenhofer, J.N.L. Connor and G. Nyman Angular scattering dynamics of the CH4 + Cl → CH3 + HCl reaction using

nearside-farside, local angular momentum and resummation theories. Journal of Physical Chemistry, B, 120, 2020–2032 (2016). 238. N. Balucani, J. M. Bowman, J. N. L. Connor, and Y. T. Lee (Guest Editors) Forty years of crossed molecular beams and computational chemical dynamics at

Perugia: A festscrift for Piergiorgio Casavecchia and Antonio Laganà. Journal of Physical Chemistry, A, 120, No. 27 (2016). •239. N. Balucani, J. M. Bowman, J. N. L. Connor, and Y. T. Lee Tribute to Piergiorgio Casavecchia and Antonio Laganà. Journal of Physical Chemistry, A, 120, 4565–4567 (2016)

•240. X. Shan and J.N.L. Connor State-to-state F + H2 reaction at Etrans = 0.04088 eV: QP decomposition,

parametrized S matrix incorporating Regge poles, and uniform asymptotic complex angular momentum analysis of the angular scattering.


•241. X. Shan, C. Xiahou and J.N.L. Connor Rainbows, supernumerary rainbows and interference effects in the angular

scattering of chemical reactions: an investigation using Heisenberg’s S matrix programme.


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Documents

J. N. L. CONNOR · 4 PUBLICATIONS (continued) 27. J.N.L. Connor . A new theory of large angle elastic scattering in chemically reactive systems. Proceedings of the 5th International