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Computer-Drawn Molecular Orbitals: An aid for the users of MO-programs |
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| Authors: | E. Haselbach A. Schmelzer |
| Abstract: | 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 C8-rotamers of the cyclopropylcarbinylcation (C4H7+), of pyridine and of barrelene (bicyclo[2.2.2]octatriene) are given. |
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