A theoretical investigation of H2C4H+ an
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Peter Botschwina; Herbert Schramm; Peter Sebald
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Article
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1990
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Elsevier Science
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English
β 535 KB
A six-dimensional anharmonic potential and electric-dipole-moment surface have been calculated for H&H+, an ion of interest to combustion processes and astrochemistry, using CEPA-I and a basis set of 102 contracted Gaussian-type orbitals. Vibrational frequencies and IR intensities are calculated var