Citation: Qian Shu LI, Song LI, Ao Qing TANG. LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS₂MoS₂]^2- CLUSTER[J]. Chinese Chemical Letters, ;1992, 3(7): 561-562. shu

LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS₂MoS₂]^2- CLUSTER

Institute of Theoretical Chemistry, Jilin University, Changchun 130023

Received Date: 22 January 1992

The canonical and locatized molecutar orbiters of [NCCuS₂NoS₂]^2- cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-S_b-No three center conjugated π bonds and No-S_t-No conjugated π bonds were accounted for.
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