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Electronic Structure and Chemical Bonding in the Lowest Electronic States of TcN †

✍ Scribed by Borin, Antonio Carlos; Gobbo, João Paulo

Book ID
120354696
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
223 KB
Volume
113
Category
Article
ISSN
1089-5639

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The electronic structure and bonding characters of the two lowest states of CuC, AgC, and AuC have been systematically studied at Hartree-Fock (HF), coupled-cluster singles-doubles (CCSD), and coupled-cluster singles-doubles (triples) [CCSD(T)] levels. The ground states of CuC and AuC were assigned