Dr. Dixon's Publication List: 1972-1985

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1. "Acidity, basicity, and gas-phase ion chemistry of hydrogen selenide by ion cyclotron resonance spectroscopy." Dixon, D. A.; Holtz, D.; Beauchamp, J. L. Inorg. Chem. 11, 960-3 (1972).

2. "Computer simulation of kinetics by the Monte-Carlo technique." Dixon, D. A.; Shafer, R. H. J. Chem. Ed. 50, 648-50 (1973).

3. "Localized orbitals in ethyl ion and the perturbation of ethylene by a proton. Reaction of localized orbitals." Dixon, D. A.; Lipscomb, W. N. J. Am. Chem. Soc. 95, 2853-60 (1973).

4. "Localized orbitals in large boron hydrides. Hexadecaborane and related molecules." Dixon, D. A.; Kleier, D. A.; Halgren, T. A.; Lipscomb, W. N. J. Am. Chem. Soc. 96, 2293-5 (1974).

5. "Molecular beam chemistry. Facile six-center reactions of dimeric chlorine with bromine and with hydrogen iodide." King, D. L.; Dixon, D. A.; Herschbach, D. R. J. Am. Chem. Soc. 96, 3328-30 (1974).

6. "Molecular beam chemistry. Reactions exchanging van der Waals bonds among three or more halogen molecules." Dixon, D. A.; Herschbach, D. R. J. Am. Chem. Soc. 97, 6268-70 (1975).

7. "Localized molecular orbitals for polyatomic molecules. II. Structural relations and charge distributions for open boron hydrides and ions." Hall, J. H., Jr.; Dixon, D. A.; Kleier, D. A.; Halgren, T. A.; Brown, L. D.; Lipscomb, W. N. J. Am. Chem. Soc. 97, 4202-13 (1975).

8. "Localized molecular orbitals for polyatomic molecules. III. Monocyclic aromatic rings." Kleier, D. A.; Dixon, D. A.; Lipscomb, W. N. Theor. Chim. Acta 40, 33-45 (1975).

9. "Electronic structure and bonding of the amino acids containing first row atoms." Dixon, D. A.; Lipscomb, W. N. J. Biol. Chem. 251, 5992-6000 (1976).

10. "Localized molecular orbitals for polyatomic molecules. IV. Large boron hydrides." Dixon, D. A.; Kleier, D. A.; Halgren, T. A.; Lipscomb, W. N. J. Am. Chem. Soc. 98, 2086-96 (1976).

11. "Potential energy surface for bond exchange among three hydrogen molecules." Dixon, D. A.; Stevens, R. M.; Herschbach, D. R. Faraday Discuss. 62, 110-26 (1977).

12. "Inversion barriers of arsine and trihydroselenium(1+) ion." Dixon, D. A.; Marynick, D. S. J. Am. Chem. Soc. 99, 6101-3 (1977).

13. "Localized orbitals for polyatomic molecules. 5. The closo boron hydrides B_nH_n^2- and carboranes C₂B_n^-2H_n." Dixon, D. A.; Kleier, D. A.; Halgren, T. A.; Hall, J. H.; Lipscomb, W. N. J. Am. Chem. Soc. 99, 6226-37 (1977).

14. "Energy transfer processes involving van der Waals bonds." Dixon, D. A.; Herschbach, D. R. Berichte 81, 145-50 (1977).

15. "Ab initio study of the electronic structure of diatomic lithium(-) ion." Dixon, D. A.; Gole, J. L.; Jordan, K. D. J. Chem. Phys. 66, 567-72 (1977).

16. "Electron affinity of the methyl radical: Structures of the methyl radical and methyl anion." Marynick, D. S.; Dixon, D. A. Proc. Nat. Acad. Sci. USA 74, 410-13 (1977).

17. "Localized molecular orbitals for polyatomic molecules. Part VII. The tetracyanoquinodimethan molecule and its anions." Dixon, D. A.; Simmons, H.; Lipscomb, W. N. J. Mol. Struct. 50, 155-60 (1978).

18. "Localized molecular orbitals for polyatomic molecules. 6. Condensed aromatic ring systems." Dixon, D. A.; Kleier, D. A.; Lipscomb, W. N. J. Am. Chem. Soc. 100, 5681-94 (1978).

19. "A tetranuclear cobalt complex." Dixon, D. A.; Marsh, R. E.; Schaefer, W. P. Acta Cryst.: B B34, 807-11 (1978).

20. "Theoretical studies of thermal rearrangements. Methylenecyclopropane and barriers to internal rotation in biradicals." Dixon, D. A.; Foster, R.;Halgren, T. A.; Lipscomb, W. N. J. Am. Chem. Soc. 100, 1359-65 (1978).

21. "Fluxional behavior in undecahydroundecaborate(2-) ion. A theoretical study." Kleier, D. A.; Dixon, D. A.; Lipscomb, W. N. Inorg. Chem. 17, 166-7 (1978).

22. "Estimate of the inversion barrier in stibine." Marynick, D. S.; Dixon, D. A. J. Chem. Phys. 69, 498-500 (1978).

23. "The question of fluxional behavior in octahydrotriborate(1-) and pentaborane(11)." Pepperberg, I. M.; Dixon, D. A.; Lipscomb, W. N.; Halgren, T. A. Inorg. Chem. 17, 587-93 (1978).

24. "Ab initio SCF polarizabilities and electron-molecule adiabatic polarization potentials II. Dilithium." Dixon, D. A.; Eades, R. A.; Truhlar, D. G. J. Phys. B: Atom. Mol. Phys. 12, 2741-53 (1979).

25. "Conformations and electronic structures of oxidized and reduced isoalloxazine." Dixon, D. A.; Lindner, D. L.; Branchaud, B.; Lipscomb, W. N. Biochemistry 18, 5770-5 (1979).

26. "The geometry and inversion barrier of the sulfonium ion SH₃⁺. Dependence on basis set." Dixon, D. A.; Marynick, D. S. J. Chem. Phys. 71, 2860-3 (1979).

27. "Ab initio self-consistent field polarizabilities and electron-molecule adiabatic polarization potentials. III. Diatomic nitrogen." Eades, R. A.; Truhlar, D. G.; Dixon, D. A. Phys. Rev. A: At. Mol. Opt. Phys. 20, 867-78 (1979).

28. "Proton affinities of ethylidenimine and vinylamine." Ellenberger, M. R.; Eades, R. A.; Thomsen, M. W.; Farneth, W. E.; Dixon, D. A. J. Am. Chem. Soc. 101, 7151-4 (1979).

29. "Effect of alkyl substitution on the ease of oxidation of bicyclo[1.1.0]butanes. Experimental verification of PRDDO calculations for the nature of the HOMO of bicyclo[1.1.0]butane." Gassman, P. G.; Mullins, M. J.; Richtsmeier, S.; Dixon, D. A. J. Am. Chem. Soc. 101, 5793-7 (1979).

30. "Effective potential approach to electron-molecule scattering theory." Truhlar, D. G.; Onda, K.; Eades, R. A.; Dixon, D. A. Int. J. Quantum Chem. 13, 601-32 (1979).

31. "Ab initio SCF polarizabilities and electron-molecule adiabatic polarization potentials. I. Hydrogen." Truhlar, D. G.; Dixon, D. A.; Eades, R. A. J. Phys. B: Atom. Mol. Phys. 12, 1913-25 (1979).

32. "Mesomeric stabilization of carbonium ions by a-cyano groups. A theoretical evaluation of inductive vs. resonance effects of the cyano moiety." Dixon, D. A.; Charlier, P. A.; Gassman, P. G. J. Am. Chem. Soc. 102, 3957-9 (1980).

33. "Relative proton affinities of 1,6-C₂B₄H₆ and 2,4-C₂B₅H₇." Dixon, D. A. Inorg. Chem. 19, 593-4 (1980).

34. "The proton affinity of ammonia. A theoretical determination." Eades, R. A.; Scanlon, K.; Ellenberger, M. R.; Dixon, D. A.; Marynick, D. S. J. Phys. Chem. 84, 2840-2 (1980).

35. "The electronic structure of the germyl anion GeH₃^-. A comparison with other AH₃^- species." Eades, R. A.; Dixon, D. A. J. Chem. Phys. 72, 3309-13 (1980).

36. "The electronic structure of the lithium trimer anion and cation." Gole, J. L.; Childs, R. H.; Dixon, D. A.; Eades, R. A. J. Chem. Phys. 72, 6368-75 (1980).

37. "Electronic structure of the alkyllithium clusters, (CH₃Li)_n, n = 1-6, and (C₂H₅Li)_n, n = 1-2." Graham, G.; Richtsmeier, S.; Dixon, D. A. J. Am. Chem. Soc. 102, 5759-66 (1980).

38. "Theoretical prediction of the vibrational spectra of group IB trimers." Richtsmeier, S. C.; Gole, J. L.; Dixon, D. A. Proc. Nat. Acad. Sci. USA 77, 5611-15 (1980).

39. "The electronic structure of dodecahedrane and the nature of the central cavity." Dixon, D. A.; Deerfield, D.; Graham, G. D. Chem. Phys. Lett. 78, 161-4 (1981).

40. "Electronic states of 2-methylenecyclopentane-1,3-diyl and trimethylenemethane." Dixon, D. A.; Dunning, T. H., Jr.; Eades, R. A.; Kleier, D. A. J. Am. Chem. Soc. 103, 2878-80 (1981).

41. "Electronic structure of vinylamine. Proton affinity and conformational analysis." Eades, R. A.; Weil, D. A.; Ellenberger, M. R.; Farneth, W. E.; Dixon, D. A.; Douglass, C. H., Jr. J. Am. Chem. Soc. 103, 5372-7 (1981).

42. "Location and energetics of transition states for the reactions atomic hydrogen + chlorine fluoride, atomic hydrogen + fluorine chloride, atomic hydrogen + diatomic fluorine, and atomic hydrogen + diatomic chlorine." Eades, R. A.; Dunning, T. H., Jr.; Dixon, D. A. J. Chem. Phys. 75, 2008-10 (1981).

43. "Relative proton affinities of methyl-substituted amines. Dependence on basis set." Eades, R. A.; Weil, D. A.; Dixon, D. A.; Douglass, C. H., Jr. J. Phys. Chem. 85, 981-6 (1981).

44. "Inversion barriers in methyl-substituted amines." Eades, R. A.; Weil, D. A.; Dixon, D. A.; Douglass, C. H., Jr. J. Phys. Chem. 85, 976-81 (1981).

45. "The conformations and energetics of simple ylides." Eades, R. A.; Gassman, P. G.; Dixon, D. A. J. Am. Chem. Soc. 103, 1066-8 (1981).

46. "Proton affinities and the site of protonation of enamines in the gas phase." Ellenberger, M. R.; Dixon, D. A.; Farneth, W. E. J. Am. Chem. Soc. 103, 5377-82 (1981).

47. "Gas-phase isotope fractionation factor for the proton-bound dimer of the ethoxide anion." Ellenberger, M. R.; Farneth, W. E.; Dixon, D. A. J. Phys. Chem. 85, 4-7 (1981).

48. "The chemiluminescent reaction of ozone with methyl mercaptan." Glinski, R. J.; Sedarski, J. A.; Dixon, D. A. J. Phys. Chem. 85, 2440-3 (1981).

49. "Theoretical determination of the overtone and combination band intensities for n3 and n4 of methane." Scanlon, K.; Eades, R. A.; Dixon, D. A.; Overend, J. J. Phys. Chem. 85, 2878-81 (1981).

50. "Metal cluster oxidation: chemiluminescence from the reaction of sodium polymers (Nan, n >= 3) with halogen atoms (X = Cl, Br, I)." Crumley, W. H.; Gole, J. L.; Dixon, D. A. J. Chem. Phys. 76, 6439-41 (1982).

51. "Ab initio adiabatic polarization potentials for beryllium and magnesium." Eades, R. A.; Dixon, D. A.; Truhlar, D. G. J. Phys. B: Atom. Mol. Phys. 15, 3365-75 (1982).

52. "The electronic structure of alkali trimer anions and cations." Eades, R. A.; Hendewerk, M. L.; Frey, R.; Dixon, D. A.; Gole, J. L. J. Chem. Phys. 76, 3075-7 (1982).

53. "Measurement of hydrogen/deuterium ratios in ethanol/ethanol-O-d mixtures by chemical ionization mass spectrometry with tetramethylsilane as reagent gas." Ellenberger, M. R.; Hendewerk, M. L.; Weil, D. A.; Farneth, W. E.; Dixon, D. A. Anal. Chem. 54, 1309-13 (1982).

54. "Single-collision chemiluminescent reactions of ozone with hydrogen sulfide and methyl mercaptan." Glinski, R. J.; Sedarski, J. A.; Dixon, D. A. J. Am. Chem. Soc. 104, 1126-8 (1982).

55. "Proton affinity and ion-molecule reactions of a simple silyl enol ether." Hendewerk, M. L.; Weil, D. A.; Stone, T. L.; Ellenberger, M. R.; Farneth, W. E.; Dixon, D. A. J. Am. Chem. Soc. 104, 1794-9 (1982).

56. "Electronic structure of phosphine. Effect of basic set and correlation on the inversion barrier." Marynick, D. S.; Dixon, D. A. J. Phys. Chem. 86, 914-17 (1982).

57. "Structure of Group IA metal clusters, M_n, n = 4-6." Richtsmeier, S. C.; Dixon, D. A.; Gole, J. L. J. Phys. Chem. 86, 3942-6 (1982).

58. "Structure of Group IB metal clusters, M_n, n = 4-6." Richtsmeier, S. C.; Dixon, D. A.; Gole, J. L. J. Phys. Chem. 86, 3937-41 (1982).

59. "Structure of mixed alkali metal trimers." Richtsmeier, S. C.; Hendewerk, M. L.; Dixon, D. A.; Gole, J. L. J. Phys. Chem. 86, 3932-7 (1982).

60. "Electronic structure of small Group IA and IB metal clusters." Richtsmeier, S. C.; Eades, R. A.; Dixon, D. A.; Gole, J. L. ACS Symposium Series 179, 177-205 (1982).

61. "An ab initio calculation of first and second derivatives of the electric dipole moment function for certain infrared-active modes of sulfur hexafluoride." Scanlon, K.; Eades, R. A.; Dixon, D. A. Spectrochim. Acta, Part A 38A, 849-53 (1982).

62. "Polarization and absorption effects in electron-helium scattering at 30-400 eV." Thirumalai, D.; Truhlar, D. G.; Brandt, M. A.; Eades, R. A.; Dixon, D. A. Phys. Rev. A: At. Mol. Opt. Phys. 25, 2946-58 (1982).

63. "Electron scattering by methane: elastic scattering and rotational excitation cross sections calculated with ab initio interaction potentials." Abusalbi, N.; Eades, R. A.; Nam, T.; Thirumalai, D.; Dixon, D. A.; Truhlar, D. G.; Dupuis, M. J. Chem. Phys. 78, 1213-27 (1983).

64. "Generalized valence bond description of simple ylides." Dixon, D. A.; Dunning, T. H., Jr.; Eades, R. A.; Gassman, P. G. J. Am. Chem. Soc. 105, 7011-17 (1983).

65. "X-ray and theoretical analysis of the relationship between substituent steric effects and the structure of bicyclo[1.1.0]butane. The unexpected flexibility of the bicyclo[1.1.0]butane skeleton." Gassman, P. G.; Greenlee, M. L.; Dixon, D. A.; Richtsmeier, S.; Gougoutas, J. Z. J. Am. Chem. Soc. 105, 5865-74 (1983).

66. "Effect of substituting silicon for carbon on molecular proton affinities." Hendewerk, M. L.; Frey, R.; Dixon, D. A. J. Phys. Chem. 87, 2026-32 (1983).

67. "Theoretical estimates of the proton affinities of lithium oxide (OLi₂), oxygen difluoride (OF₂), and oxygen dichloride (OCl₂)." Marynick, D. S.; Dixon, D. A. J. Phys. Chem. 87, 3430-3 (1983).

68. "Electron affinities of the alkali dimers: Na₂, K₂, and Rb₂." Partridge, H.; Dixon, D. A.; Walch, S. P.; Bauschlicher, C. W., Jr.; Gole, J. L. J. Chem. Phys. 79, 1859-65 (1983).

69. "Energetics of the protonation of carbon monoxide: implications for the observation of isoformyl ion (HOC⁺) in dense interstellar clouds." Dixon, D. A.; Komornicki, A.; Kraemer, W. P. J. Chem. Phys. 81, 3603-11 (1984).

70. "Theoretical evaluation of the effect of electron-withdrawing substituents on carbocation stabilities. Delocalization of charge to the carbonyl and cyano groups." Dixon, D. A.; Eades, R. A.; Frey, R.; Gassman, P. G.; Hendewerk, M. L.; Paddon-Row, M. N.; Houk, K. N. J. Am. Chem. Soc. 106, 3885-91 (1984).

71. "Inversion barriers in nitrogen fluoride (NF₃⁺) and trifluoromethyl radical." Dixon, D. A. J. Chem. Phys. 83, 6055-6 (1985).

72. "The molecular structure of hydrogen disulfide (H₂S₂) and barriers to internal rotation." Dixon, D. A.; Zeroka, D. J.; Wendoloski, J. J.; Wasserman, Z. R. J. Phys. Chem. 89, 5334-6 (1985).

73. "Reactive scattering of van der Waals molecule. The formation of hydrogen bromide-chlorine molecule (HBrCl₂) from the reaction of hydrogen bromide with molecular chlorine trimer ((Cl₂)₃)." Ellenberger, M. R.; Richtsmeier, S. C.; Dixon, D. A. Mol. Phys. 56, 271-95 (1985).

74. "Crystal and molecular structure of tris(dimethylamino)sulfonium trifluoromethoxide. Evidence for negative fluorine hyperconjugation." Farnham, W. B.; Smart, B. E.; Middleton, W. J.; Calabrese, J. C.; Dixon, D. A. J. Am. Chem. Soc. 107, 4565-7 (1985).

75. "Oxidation processes in the gas-phase silane-ozone system. Chemiluminescent emission and the molecular structure of H₂SiO." Glinski, R. J.; Gole, J. L.; Dixon, D. A. J. Am. Chem. Soc. 107, 5891-4 (1985).

76. "Chemiluminescent reactions of ozone with dimethyl sulfoxide and dimethyl disulfide. Formation of electronically excited sulfur dioxide." Glinski, R. J.; Dixon, D. A. J. Phys. Chem. 89, 33-8 (1985).

77. "Gas-phase oxidation of silver: the reaction of silver clusters with ozone." Gole, J. L.; Woodward, R.; Hayden, J. S.; Dixon, D. A. J. Phys. Chem. 89, 4905-8 (1985).

78. "Structure of mixed Group IB metal trimers." Richtsmeier, S. C.; Jagger, T.; Gole, J. L.; Dixon, D. A. Chem. Phys. Lett. 117, 274-9 (1985).

79. "A theoretical evaluation of substituent effects on the ionization potential of bicyclo[1.1.0]butane." Richtsmeier, S. C.; Gassman, P. G.; Dixon, D. A. J. Org. Chem. 50, 311-17 (1985).

80. "Gas-phase isotope fractionation factor for proton-bound dimers of methoxide anions." Weil, D. A.; Dixon, D. A. J. Am. Chem. Soc. 107, 6859-65 (1985).

81. "Positive ion-molecule reactions in carbonyl sulfide/hydrocarbon mixtures." Weil, D. A.; Platzner, I.; Miller, L. L.; Dixon, D. A. Org. Mass Spectrom. 20, 115-21 (1985).

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