Michael R. Peterson Publications

  1. S. Wolfe, J.E. Berry and M.R. Peterson, "Stereomutation of a 1,2,3-triketone: an example of an asymmetric reaction", Can. J. Chem., 54, 210-217 (1976).

  2. M.R. Peterson, P.M. Holtham and I.M. Templeton, "Two-page, 16-bit-packing OS/8 system and auxiliary handlers for the Sykes 7100 and 7200 floppy disk", DECUS Program Library, No. 8-846 (1976).

  3. M.R. Peterson and I.G. Csizmadia, "Saddle points by the X-method", Progress in Theoretical Organic Chemistry, Vol. 2, I.G. Csizmadia (Ed.), Elsevier, Amsterdam, 1977, pp. 117-126.

  4. M.H. Lien, A.C. Hopkinson, M.R. Peterson, K. Yates and I.G. Csizmadia, "A theoretical study on the stereochemistry of the base catalysed hydrolytic intermediate of methyl formate", Progress in Theoretical Organic Chemistry, Vol. 2, I.G. Csizmadia (Ed.), Elsevier, Amsterdam, 1977, pp. 162-181.

  5. R. Daudel, J.D. Goddard, M.R. Peterson and I.G. Csizmadia, "The "sizes" of bond and lone pair LMO: basis set and nuclear charge effects", Progress in Theoretical Organic Chemistry, Vol. 2, I.G. Csizmadia (Ed.), Elsevier, Amsterdam, 1977, pp. 527-536.

  6. P.G. Mezey, M.R. Peterson and I.G. Csizmadia, "Transition state determination by the X-method", Can. J. Chem., 55, 2941-2945 (1977).

  7. D.F. McIntosh and M.R. Peterson, "General vibrational analysis programs utilizing the Wilson GF matrix method for a general unsymmetrical molecule", Quantum Chemistry Program Exchange, No. QCPE342, Chemistry Department, Indiana University, Bloomington, Indiana 47405.

  8. D.F. McIntosh, K.H. Michaelian and M.R. Peterson, "A consistent derivation of the Wilson-Decius s vectors, including new out-of-plane wag formulae", Can. J. Chem., 56, 1289-1295 (1978).

  9. M.R. Peterson and I.G. Csizmadia, "Analysis of the topological features of the conformational hypersurface of n-butane", J. Am. Chem. Soc., 100, 6911-6916 (1978).

  10. M.R. Peterson and I.G. Csizmadia, "Determination and analysis of the formic acid conformational hypersurface", J. Am. Chem. Soc., 101, 1076-1079 (1979).

  11. I.G. Csizmadia, M.R. Peterson, C. Kozmutza and M.A. Robb, "Recent advances in the theoretical treatment of acid derivatives", The Chemistry of Acid Derivatives, S. Patai (Ed.), Wiley-Interscience, Toronto, 1979, Chapter 1.

  12. T.A. Modro, W.G. Liauw, M.R. Peterson and I.G. Csizmadia, "Protonation of phosphoric amides. Molecular orbital calculations on phosphinamide, H2P(O)NH2, and its protonated forms", J. Chem. Soc. Perkin II, 1432-1436 (1979).

  13. O.P. Strausz, R.K. Gosavi, G.R. De Maré, M.R. Peterson and I.G. Csizmadia, "A theoretical study on the thermodynamic properties of the formation and decomposition of methyloxirane via triplet mechanisms", Chem. Phys. Letts., 70, 31-35 (1980).

  14. G.R. De Maré, M.R. Peterson, I.G. Csizmadia and O.P. Strausz, "Conformational energy surfaces of triplet-state isomeric methyloxiranes", J. Comp. Chem., 1, 141-148 (1980).

  15. M.R. Peterson, R.A. Poirier, R. Daudel and I.G. Csizmadia, "Simple relationship between total molecular correlation energies and LMO sizes", Int. J. Quantum Chem., XIX, 25-31 (1981).

  16. G. Naray-Szabo and M.R. Peterson, "d-Orbital participation in bonding in thiophene: comparison of CNDO/2 and ab initio results", J. Molec. Struct. (THEOCHEM), 85, 249-255 (1981).

  17. M.R. Peterson, G.R. De Maré, I.G. Csizmadia and O.P. Strausz, "Conformations of triplet carbonyl compounds: formaldehyde, acetaldehyde, propionaldehyde and acetone", J. Molec. Struct. (THEOCHEM), 86, 131-147 (1981).

  18. M.R. Peterson, "Computational laboratory projects", Computational Theoretical Organic Chemistry, NATO Advanced Study Institutes Series C, Mathematical and Physical Sciences, Vol. 67, I.G. Csizmadia and R. Daudel (Eds.), Reidel, Dordrecht, 1981, pp. 413-416.

  19. T.J. Zielinski, M.R. Peterson, I.G. Csizmadia and R. Rein, "An ab initio study on the conformations of protonated, neutral and deprotonated amidine", J. Comp. Chem., 3, 62-68 (1982).

  20. T.J. Zielinski, R.A. Poirier, M.R. Peterson and I.G. Csizmadia, "Conformational study of protonated, neutral and deprotonated formamide", J. Comp. Chem., 3, 477-485 (1982).

  21. M.R. Peterson and G.R. De Maré, "Structures of C3H6O species in the triplet state: methyloxirane, propanal, acetone, methyl vinyl ether and propenol", J. Molec. Struct. (THEOCHEM), 88, 1-14 (1982).

  22. R.A. Poirier, E. Constantin, J.C. Abbe, M.R. Peterson and I.G. Csizmadia, "A mechanistic study of the ion-molecule gas-phase reaction: CH3+ + CH4 --> CH3CH2+ + H2", J. Molec. Struct. (THEOCHEM), 88, 343-355 (1982).

  23. M.R. Peterson and I.G. Csizmadia, "Analytic equations for conformational energy surfaces", Molecular Structure and Conformation: Recent Advances, Progress in Theoretical Organic Chemistry, Vol. 3, I.G. Csizmadia (Ed.), Elsevier, Amsterdam, 1982, pp. 190-266.

  24. G.R. De Maré and M.R. Peterson, "Ab initio study of rotational isomerism in vinylcyclopropane", J. Molec. Struct. (THEOCHEM), 89, 213-225 (1982).

  25. R.A. Poirier, M.R. Peterson and M.A. Menzinger, "An ab initio study of the reaction Be(3P) + H2(1 Sigma g+) <-- BeH(2 Sigma) + H(2S)", J. Chem. Phys., 78, 4592-4596 (1983).

  26. M.R. Peterson, G.R. De Maré, I.G. Csizmadia and O.P. Strausz, "Theoretical studies of C2H4O isomers. Part 1. Acetaldehyde ground, triplet n-->π* and triplet n-->3S electronic states", J. Molec. Struct. (THEOCHEM), 92, 239-253 (1983).

  27. M.F. Powell, M.R. Peterson and I.G. Csizmadia, "Substituent effects on the acidity of the acetylenic proton: an ab initio study", J. Molec. Struct. (THEOCHEM), 92, 323-335 (1983).

  28. M.R. Peterson, I.G. Csizmadia and R.W. Sharpe, "Topological properties of conformational potential energy surfaces", J. Molec. Struct. (THEOCHEM), 94, 127-135 (1983).

  29. B. Toyonaga, M.R. Peterson, G.H. Schmid and I.G. Csizmadia, "An ab initio study of halogen-olefin molecular complexes", J. Molec. Struct. (THEOCHEM), 94, 363-372 (1983).

  30. G.R. De Maré and M.R. Peterson, "Ab initio study of rotational isomerism in cyclopropanecarboxaldehyde", J. Molec. Struct. (THEOCHEM), 104, 115-130 (1983).

  31. T.J. Zielinski, R.A. Poirier, M.R. Peterson and I.G. Csizmadia, "A water-mediated tautomerism mechanism in formamide and amidine. An ab initio study", J. Comp. Chem., 4, 419-427 (1983).

  32. L. Pataki, A. Mady, R.D. Venter, R.A. Poirier, M.R. Peterson and I.G. Csizmadia, "A theoretical model investigation of the hydrogen-electrode processes of an acidic H2-O2 fuel cell", Chem. Phys. Letts., 109, 198-205 (1984).

  33. M.R. Peterson and I.G. Csizmadia, "A standard geometrical model for compounds of the main group elements H through I", J. Molec. Struct. (THEOCHEM), 123, 399-412 (1985).

  34. E.J. Reiner, R.A. Poirier, M.R. Peterson, I.G. Csizmadia and A.G. Harrison, "Unimolecular fragmentation of some gaseous protonated amines", Can. J. Chem., 64, 1652-1660 (1986).

  35. L. Pataki, A. Mady, R.D. Venter, R.A. Poirier, M.R. Peterson and I.G. Csizmadia, "A theoretical model investigation of the oxygen-electrode processes of an alkaline H2-O2 fuel cell", J. Molec. Struct. (THEOCHEM), 135, 189-208 (1986).

  36. J.R. Strautmanis, M.R. Peterson and I.G. Csizmadia, "Properties of C and O protonated formaldonitrone", J. Molec. Struct. (THEOCHEM), 170, 75-84 (1988).

  37. M.A. Lefcourt, C.L. Merritt, M.R. Peterson and I.G. Csizmadia, "Ab initio SCF calculations of 3P Mg and Be atom activation of methane", J. Molec. Struct. (THEOCHEM), 181, 315-324 (1988).

  38. J.L. Bolton, M.R. Peterson and R.A. McClelland, "Experimental and theoretical investigation of C-nitroso rotation in 2-nitrosoimidazoles", Can. J. Chem., 66, 3044-3049 (1988).

  39. R. Leung-Toung, M.R. Peterson, T.T. Tidwell and I.G. Csizmadia, "Protonation of ketene and vinylketene. Relative stabilities of isomeric cationic products", J. Molec. Struct. (THEOCHEM), 183, 319-330 (1989).

  40. A. Bottoni, M. Duran, J.M. Lluch and M.R. Peterson, "Practical applications of new theoretical concepts on organic chemistry", New Theoretical Concepts for Understanding Organic Reactions, J. Bertran and I.G. Csizmadia (Eds.), NATO ASI Series C, Vol. 267, Kluwer Academic Publishers, Dordrecht, 1989, pp. 373-385.

  41. S.F. Farah, R.A. McClelland, M.R. Peterson and I.G. Csizmadia, "Molecular structure and reactive proton and electron affinities of isomeric C-nitro Imidazoles", Can. J. Chem., 67, 1666-1671 (1989).

  42. D.F. McIntosh and M.R. Peterson, "General vibrational analysis programs utilizing the Wilson GF matrix method for a general unsymmetrical molecule", Quantum Chemistry Program Exchange, Nos. QCPE576 and QCMP067, Chemistry Department, Indiana University, Bloomington, Indiana 47405.

  43. J.F. Marcoccia, I.G. Csizmadia, M.R. Peterson and R.A. Poirier, "An ab initio study of unprotonated and protonated formic and acetic acids", Gazzetta Chimica Italiana, 120, 77-87 (1990).

  44. M.R. Peterson, "UNIX Printing", The ADUS Ring (Newsletter of the Apollo/HP Workstation Users Group), Vol. 4, No. 3, 14-15 (1990).

  45. M. McAllister, T.T. Tidwell, M.R. Peterson and I.G. Csizmadia, "Theoretical structures and stabilities of C3H5+ and C3H2F3+ cations", J. Org. Chem., 56, 575-580 (1991).

  46. M. Leibovitch, A.J. Kresge, M.R. Peterson and I.G. Csizmadia, "Ab initio investigation of the structure and reactivity of vinyl ethers", J. Molec. Struct. (THEOCHEM), 230, 349-385 (1991).

  47. J. Andraos, A.J. Kresge, M.R. Peterson and I.G. Csizmadia, "Carboxylic acid enols from the hydration of ketenes: a theoretical investigation", J. Molec. Struct. (THEOCHEM), 232, 155-177 (1991).

  48. F. Wang, M.A. Winnik, M.R. Peterson and I.G. Csizmadia, "Ab initio study on thermal dissociation of diazo compounds", J. Molec. Struct. (THEOCHEM), 232, 203-210 (1991).

  49. G.A. Arteca, A. Bottoni, M. Duran, R. Fausto, M.R. Peterson and H.D. Thomas, "Laboratory Projects in computational organic chemistry", Theoretical and Computational Models for Organic Chemistry, S.J. Formosinho et al (Eds.), Kluwer Academic Publishers, Dordrecht, 1991, pp. 411-428.

  50. A.I. Boothroyd, J.E. Dove, W.J. Keogh, P.G. Martin and M.R. Peterson, "Accurate ab initio potential energy computations for the H4 system: Tests of some analytic potential energy surfaces", J. Chem. Phys., 95, 4331-4342 (1991).

  51. A.I. Boothroyd, W.J. Keogh, P.G. Martin and M.R. Peterson, "An improved H3 potential energy surface", J. Chem. Phys., 95, 4343-4359 (1991).

  52. C.S. Browning, D.H. Farrar and M.R. Peterson, "An ab initio study of the ligands diphosphinoamine and diphosphinomethane in the chelating and bridging geometries", J. Molec. Struct. (THEOCHEM), 251, 153-163 (1991).

  53. S. Engelsen, J. Fabricius, M.R. Peterson, P.J.A. Ribiero-Claro and B.J. Whitaker, "Experimental and Computational Projects on Molecular Spectroscopy", Recent Experimental and Computational Advances in Molecular Spectroscopy, R. Fausto (Ed.), Kluwer Academic Publishers, Dordrecht, 1993, pp. 421-429.

  54. T. Yalcin, C. Khouw, I.G. Csizmadia, M.R. Peterson, and A.G. Harrison, "Why are B ions stable species in peptide spectra?", J. Am. Soc. Mass Spectrom., 6, 1164-1174 (1995).

  55. Arnold I. Boothroyd, William J. Keogh, Peter G. Martin and Michael R. Peterson, "A refined H3 potential energy surface", J. Chem. Phys., 104, 7139-7152 (1996).

  56. T. Yalcin, I.G. Csizmadia, M.R. Peterson, and A.G. Harrison, "The Structure and Fragmentation of Bn (n ≥ 3) Ions in Peptide Spectra", J. Am. Soc. Mass Spectrom., 7, 233-242 (1996).

  57. A. I. Boothroyd, P. G. Martin, W. J. Keogh and M. R. Peterson, "An accurate analytic H4 potential energy surface" J. Chem. Phys., 116, 666-689 (2002).

  58. Arnold I. Boothroyd, Peter G. Martin and Michael R. Peterson, "Accurate analytic He-H2 potential energy surface from a greatly expanded set of ab initio energies", J. Chem. Phys., 119, 3187-3207 (2003).