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Pure Appl. Chem., 1983, Vol. 55, No. 2, pp. 343-346

Potential surfaces for simple rearrangements

J. A. Pople

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  • Lee Hyunwoo, Baraban Joshua H., Field Robert W., Stanton John F.: High-Accuracy Estimates for the Vinylidene-Acetylene Isomerization Energy and the Ground State Rotational Constants of :C═CH2. J. Phys. Chem. A 2013, 117, 11679. <>
  • Stanton John F., Gauss Jürgen: Some predictions relevant to future spectroscopic observation of S1 vinylidene. J Chem Phys 1994, 101, 3001. <>
  • Stanton John F., Huang Chang-Ming, Szalay Péter G.: Stationary points on the S1 potential energy surface of C2H2. J Chem Phys 1994, 101, 356. <>
  • Vacek George, Thomas J. Russell, DeLeeuw Bradley J., Yamaguchi Yukio, Schaefer Henry F.: Isomerization reactions on the lowest potential energy hypersurface of triplet vinylidene and triplet acetylene. J Chem Phys 1993, 98, 4766. <>
  • Houk Kendall N., Li Yi, Evanseck Jeffrey D.: Übergangsstrukturen in pericyclischen Reaktionen von Kohlenwasserstoffen. Angew Chem 1992, 104, 711. <>
  • Minyaev R. M.: Molecular structure and global description of the potential energy surface. J Struct Chem 1992, 32, 559. <>
  • Bentley Joseph A., Wyatt Robert E., Menou Michel, Leforestier Claude: A finite basis-discrete variable representation calculation of vibrational levels of planar acetylene. J Chem Phys 1992, 97, 4255. <>
  • Ervin Kent M., Ho Joe, Lineberger W. C.: A study of the singlet and triplet states of vinylidene by photoelectron spectroscopy of H2C=C−, D2C=C−, and HDC=C−. Vinylidene–acetylene isomerization. J Chem Phys 1989, 91, 5974. <>
  • Siam K., Ewbank J.D., Sch��fer L., Van Alsenoy C., Allinger N.L., Nowak W., Adamczak P., Balter A., Sygula A., Nguyen Minh Tho, Ha Tae-Kyu: Standard geometry functions for ethanol, ethylamine, propanol and propylamine. Journal of Molecular Structure: THEOCHEM 1986, 139, 83. <>
  • Goddard John D., Akagi Kazuo, Brakaspathy R., Singh Surjit: Methylfluorovinylidene and its rearrangements to methylfluoroacetylene. Journal of Molecular Structure: THEOCHEM 1985, 133, 59. <>
  • Hobza Pavel, Zahradník Rudolf, Ladik Janos: Origin of high efficiency and specificity of biochemical reactions. Int J Quantum Chem 1984, 26, 857. <>
  • Frenking Gemot: The neutral and ionic vinylidene—acetylene rearrangement. chem phys letts 1983, 100, 484. <>