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DFT study on structures and vibrational frequencies of (CS2)2−

✍ Scribed by Shao Wen Zhang; Cheng Gang Zhang; Yong Tao Yu; Bing Zhi Mao; Fu Chu He

Book ID
108312862
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
170 KB
Volume
304
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Optimum structures and vibrational frequ
Optimum structures and vibrational frequencies of (SIC)2 clusters
✍ G. B. Fitzgerald; Rodney J. Bartlett 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 420 KB

## Abstract (SiC)~2~ clusters occupy an intermediate place between the well‐studied clusters C~__n__~ and Si~__n__~. Of the five closed‐shell isomers investigated in this paper, the rhombic form is found to be the lowest in energy at the MBPT(4) level. Analytic SCF and MBPT(2) second derivatives ar