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String Model of Chemical Reactions

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Abstract

Chemical reaction is in general a phenomenon associated with a change of molecules. Our approach in this paper is to treat an isolated nonrelativistic chemical reaction system A composed of several molecules, and the perturbation effects to it. Relativistic corrections including spin-dependent interactions or external electromagnetic fields including solvent effects are here treated as perturbations.

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References

  • Aharonov, Y, and Anandan, J. (1987) “Phase Change During a Cyclic Quantum Evolution”, Phys. Rev. Lett. 58. 1593–1596.

    Article  Google Scholar 

  • Berry, M.V. (1984) “Quantal Phase Factors Accompanying Adiabatic Changes” Proc. R. Lond A 392, 45–57.

    Article  Google Scholar 

  • Bersuker, I.B. (1984) The Jahn-Teller Effect and Vibronic Interactions in Modern Chemistry, Plenum Press, New York.

    Google Scholar 

  • Fukui, K. (1981) “The Path of Chemical Reactions — The IRC Approach” Acc. Chem. Res. 14, 363–368.

    Article  CAS  Google Scholar 

  • Guichardet, A. (1984) “On Rotation and Vibration motions of Molecules”, Ann. Inst. Henri Pomcaré 40, 329–342.

    CAS  Google Scholar 

  • Hertzberg, G., and Longuet-Higgins, H.C. (1963) “Intersection of Potential Energy Surfaces in Polyatomic Molecules”, Disc. Farad. Soc. Lond. A 351, 141–150.

    Google Scholar 

  • Iwai, T. (1992) “A Representation of the Guichardet Connection in the Aharonov-Anandan Connection”, Phys. Lett. A 162, 289–293.

    Article  Google Scholar 

  • Mead, C.A., and Truhlar, D.G. (1979) “On the Determination of Born-Oppenheimer Nuclear Motion Wave Functions Including Complications due to Conical Intersections and Identical Nuclei”. J. Chem. Phys. 70(05), 2284–2296

    Article  CAS  Google Scholar 

  • Parr, R.G., and Yang, W. (1989) Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York.

    Google Scholar 

  • Rose, M.E. (1957) Elementary Theory of Angular Momentum, John Wiley & Sons, Inc., New York.

    Google Scholar 

  • Shapere, A., and Wilczek, F. (1989) Geometric Phases in Physics, World Scientific, Singapore.

    Google Scholar 

  • Tachibana, A. (1981) “Extended Hessian Matrix Along the Reaction Coordinate”, Theor. Chim. Acta (Ber.) 58. 301–308.

    Article  CAS  Google Scholar 

  • Tachibana, A. (1982a) “’Stable’ Quasistationary State: New Solution of the Time-Dependent Schrödinger Equation”, Int. J. Quant. Chem. 22, 191–197.

    Article  CAS  Google Scholar 

  • Tachibana, A. (1982b) “Concept of the’ stability’ of the Quantum Mechanical State”, Int. J. Quant. Chem. 23. 195–215.

    Article  Google Scholar 

  • Tachibana, A. (1987) “Complete Vibronic Hamiltonian and ‘Hidden’ Superconductivity”, Phys. Rev. A 35. 18–25.

    Article  CAS  Google Scholar 

  • Tachibana, A. (1988) “Density Functional Theory for Hidden High-Tc Superconductivity”, in W.E. Hatfield and J.H. Miller, Jr. (eds.), High-Temperature Superconducting Materials, Marcel Dekker, Inc., New York, pp. 99–106.

    Google Scholar 

  • Tachibana, A. (1990) “Density Functional Theory for the New High-Temperature Superconducting Phase Transition”, in G. Saito and S. Kagoshima (eds.), The Physics and Chemistry of Organic Superconductors, Springer-Verlag Berlin, Heidelberg, pp. 461–464.

    Chapter  Google Scholar 

  • Tachibana, A. (1991) “String Model of Chemical Reaction Coordinate”, J. Math. Chem. 7, 95–110.

    Article  CAS  Google Scholar 

  • Tachibana, A. (1993) “Wannier Analysis of the Cooper Pairing Force”, Int. J. Quant. Chem. submitted for publication

    Google Scholar 

  • Tachibana, A., and Fukui, K. (1978) “Differential Geometry of Chemically Reacting Systems”. Theor. Chim. Acta (Berl.) 49. 321–347.

    Article  CAS  Google Scholar 

  • Tachibana, A., and Fukui, K. (1979a) “Intrinsic Dynamism of Chemically Reacting Systems”. Theor. Chim. Acta (Berl.) 51. 189–206.

    Article  CAS  Google Scholar 

  • Tachibana, A., and Fukui, K. (1979b) “Intrinsic Field Theory of Chemical Reactions”, Theor. Chim. Acta (Berl.) 51. 275–296.

    Article  CAS  Google Scholar 

  • Tachibana, A., and Fukui, K. (1980) “Novel Variational Principles of Chemical Reaction”, Theor. Chim. Acta (Berl.) 57. 81–94.

    Article  CAS  Google Scholar 

  • Tachibana, A., and Iwai, T. (1986) “Complete Molecular Hamiltonian Based on the Born-Oppenheimer Adiabatic Approximation”, Phys. Rev. A 33, 2262–2269.

    Article  CAS  Google Scholar 

  • Tachibana, A., and Parr, R.G. (1992) “On the Redistribution of Electrons for Chemical Reaction Systems”, Int. J. Quant. Chem. 41, 527–555.

    Article  CAS  Google Scholar 

  • Tachibana, A., Fueno, H., and Yamabe, T. (1986) “Quantum Mechanical Stability of Reaction Coordinate in the Unimolecular Reaction of Silanone”, J. Am. Chem. Soc. 108, 4346–4352.

    Article  CAS  Google Scholar 

  • Tachibana, A., Fueno, H., Tanaka, E., Murashima, M., Koizumi, M. and Yamabe, T. (1991) “String Model for the Rate Constant of Nonadiabatic Solvation in the Hydration Reaction of Carbon Dioxide”, Int. J. Quant. Chem. 39, 561–583.

    Article  CAS  Google Scholar 

  • Tachibana, A., Fueno, H., Yamato, M., and Yamabe, T. (1991) “Second-Order Perturbational Treatment of Normal Coordinates in the String Model for the Hydration Reaction of Formaldehyde”, Int. J. Quant. Chem. 40, 435–456.

    Article  CAS  Google Scholar 

  • Tachibana, A., Kawauchi, S., and Yamato, M. (1992) “External Field Effects for Chemical Reaction”, Trends in Phys. Chem. 3, 7–15.

    CAS  Google Scholar 

  • Tachibana, A., Koizumi, M., Murashima, M., and Yamabe, T. (1989) “A String Model for the Chemical Reaction Coordinate in Static External Fields”, Theor. Chim. Acta (Berl.) 75, 401–416.

    Article  CAS  Google Scholar 

  • Tachibana, A., Okazaki, I., Koizumi, M., Hori, K., and Yamabe, T. (1985) “Stability of the Reaction Coordinate in the Unimolecular Reaction of Thioformaldehyde”, J. Am. Chem. Soc. 107, 1190–1196.

    Article  CAS  Google Scholar 

  • Wagner, M. (1978) “On the Non-Adiabatic Properties of Tunneling Centres”, Phys. Stat. Sol. (b) 88. 517–530.

    Article  CAS  Google Scholar 

  • Wagner, M. (1981) “Aspect of Electrical Conductivity in a Moving Base Approach”, Phys. Stat. Sol. (b) 107, 617–636.

    Article  Google Scholar 

  • Wilson, E.B., Decius, J.C., and Cross, P.C. (1955) Molecular Vibrations, McGraw-Hill, New York.

    Google Scholar 

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© 1994 Springer Science+Business Media Dordrecht

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Tachibana, A. (1994). String Model of Chemical Reactions. In: Kryachko, E.S., Calais, J.L. (eds) Conceptual Trends in Quantum Chemistry. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0852-2_4

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  • DOI: https://doi.org/10.1007/978-94-011-0852-2_4

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-4367-0

  • Online ISBN: 978-94-011-0852-2

  • eBook Packages: Springer Book Archive

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