Abstract
The chemisorption of acetylene on the P t (111) surface has been studied by Extended Huckel molecular orbital calculations, with a new, more efficient basis set. The results are discussed and compared with those of previous calculations on the same subject. The results are in agreement with most of the available experimental evidence.
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Anders, L.W., Hansen, R.S., and Bartell, L.S.J 1973, J.Chem.Phys. 59, p. 5277.
Bridge, M.E., and Lambert, R.M.: 1977, Surf. Sci. 63, p. 315.
Demuth, J.E.: 1977, Chem. Phys. Letters 45, p. 12.
Demuth, J.E.: 1979, Surf. Sci. 80, p. 367.
Dykstra, C.E., and Schaefer, H.F. III: 1978, J. Amer. Chem. Soc. 100, p. 1378.
Ertl, G., Neumann, M, and Streit, K.M.: 1977, Surf. Sci. 64, p. 393.
Fischer, T.E., and Kelemen, S.R.: 1977, Surf. Sci. 69, p. 485.
Gavezzotti, A., and Simonetta, M.: 1977, Chem. Phys. Letters 48, p. 434.
Gavezzotti, A., and Simonetta, M.: 1979, Chem. Phys. Letters, in press.
Gavezzotti, A., Ortoleva, E., and Simonetta, M.: 1979, Theoret. Chim. Acta, submitted for publication.
Ibach, H., Hopster, M., and Sexton, B.: 1977, Appl. Surf. Sci. 1, p. 1.
Kesmodel, L.L., Baetzold, R.C., and Somorjai, G.A.: 1977, Surf. Sci. 66, p. 299.
Kesmodel, L.L., Dubois, L.H., and Somorjai, G.A.: 1978, Chem. Phys. Letters, 56, p.267; J.Chem.Phys., in press.
Lo, W.J., Chung, Y.W., Kesmodel, L.L., Stair, P.C., and Somorjai, G.A.: 1977, Solid State Commun. 22, p. 335.
Mulliken, R.S.: 1955, J. Chem. Phys. 23, p. 1833.
Simonetta, M., and Gavezzotti, A.: 1978, in: The Chemistry of the Carbon-Carbon triple Bond, S. Patai, Editor, Wiley and Sons, New York.
Simonetta, M., and Gavezzotti, A.: 1979, Adv. in Quantum Chemistry, in press.
Summerville, R.H., and Hoffmann, R.: 1976, J. Amer. Chem. Soc. 98, p. 724O.
Weinberg, W.H., Deans, H.A., and Merrill, R.P.: 1974, Surf. Sci. 41, p. 312.
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Gavezzotti, A., Simonetta, M. (1979). The Chemisorption of Acetylene on the Pt(111) Surface. Extended Huckel Results. In: Pullman, B. (eds) Catalysis in Chemistry and Biochemistry Theory and Experiment. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 12. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9513-0_19
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DOI: https://doi.org/10.1007/978-94-009-9513-0_19
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