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An ab initio study on the chemical bond and the mechanism of cluster formation of the tungsten-sulfur clusters

✍ Scribed by Jun-Qian Li; Yong-Fan Zhang; Zun-Xing Huang; Li-Ming Wu; Li-Xin Zhou; Shao-Fang Lu

Book ID
114142816
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
718 KB
Volume
429
Category
Article
ISSN
0166-1280

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## Abstract Theoretical studies on BC~__n__~ (__n__=1–6) clusters are carried out using density functional theory, Møller–Plesset second‐order perturbation theory (MP2), coupled‐cluster calculations including up to triple excitations (CCSD(T)), and higher‐level approaches. All possible isomers depe