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Formal methods: A dramatic (success, failure) story

✍ Scribed by Robert L. Glass

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
238 KB
Volume
32
Category
Article
ISSN
0164-1212

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The copper-carbon bond dissociation energy of CuCH3 is calculated using coupled cluster (CC) theory and the quadratic CI approach (QCI) in conjunction with an effective core potential (ECP) for Cu. The results at the CCSD (DΒ©=45.4 kcal/mol) and CCSD (T) level (De = 48.0 kcal/mol) are in good agreeme