Computer-Drawn Molecular Orbitals: An ai
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E. Haselbach; A. Schmelzer
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Article
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1971
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John Wiley and Sons
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German
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A computer program is described, which generates a simplified pictorial representation of computed molecular orbitals. As examples, the highest occupied MO's of the two C,rotamers of the cyclopropylcarbinylcation (C,H,+), of pyridine and of barrelene (bicyclo[2.2.2]octatriene) are given.