An improved description of lone pairs by
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R. Lochmann; Th. Weller; D. Deininger
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Article
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1982
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John Wiley and Sons
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English
⚖ 405 KB
## Abstract The inadequate description of molecular systems involving lone pairs by the original PCILO method is analyzed on some examples. A modified PCILO version for the lone‐pair description is proposed. The success of this method is represented in the same examples.