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Local softness and hardness as reactivity indices in the fullerenes C24C76

✍ Scribed by K. Choho; W. Langenaeker; G. Van de Woude; P. Geerlings

Book ID
113258814
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
942 KB
Volume
362
Category
Article
ISSN
0166-1280

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## Abstract In a very recent article (Torrent‐Sucarrat et al., J Comput Chem 2007, 28, 574), we have shown how to evaluate the global hardness for polyatomic molecules using a hardness kernel approximation. We present here an extension of this previous work by improving the model used to evaluate t