Molecular orbital studies of hydrogen bo
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Suehiro Iwata; Keiji Morokuma
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Article
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1973
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Elsevier Science
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English
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Ab initio calculations for the interacting system of lower excited states of planar and bent HzCO with B?O have been carried out with a minimum basis set, using the recently proposed electron-hole potential method The blue shifts of the n-z\* transition are evaiuated as I100 and 142Q cm-\* ' .or th