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Theoretical study of the CH bond dissociation energy of acetylene by Charles W. Bauschlicher Jr.; Stephen R. Langhoff; Peter R. Taylor is a Physics and Astronomy article available to read on EtoBox.

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We present a theoretical study of the convergence of the C-H bond dissociation energy (Do) of acetylene with respect to both the one-and n-particle spaces. Our best estimate for Do of 130.1 f 1.0 kcal/mol is slightly below previous theoretical estimates, but substantially above the value determined using Stark anticrossing spectroscopy that is asserted to be an upper bound.

Who reads Theoretical study of the CH bond dissociation energy of acetylene?

Author

Charles W. Bauschlicher Jr.; Stephen R. Langhoff; Peter R. Taylor

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1990

Language

EN

Field

Physics and Astronomy (Physical Sciences)