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- URN to cite this document:
- urn:nbn:de:bvb:355-epub-55066
- DOI to cite this document:
- 10.5283/epub.5506
Abstract
A Cohen-type bond-order (I. Cohen, 1972) anal. in terms of orthogonalized at. basis functions is given, which can be used to analyze neglect-of-differential-overlap wave functions of large org. and organometallic mols. For small mols., the results from this method agreed with the results obtained with the same anal. based on ab-initio STO-3G wave functions. For large planar arom. systems, these ...
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