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The Chemisorption of Acetylene on the Pt(111) Surface. Extended Huckel Results

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Catalysis in Chemistry and Biochemistry Theory and Experiment

Part of the book series: The Jerusalem Symposia on Quantum Chemistry and Biochemistry ((JSQC,volume 12))

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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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© 1979 D. Reidel Publishing Company

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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

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-9515-4

  • Online ISBN: 978-94-009-9513-0

  • eBook Packages: Springer Book Archive

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