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Ab initio and DFT study on [Si(O2Ph)n]m± (n=1–3, m=0,±2)

✍ Scribed by Hong-Ze Gao; Zhong-Min Su; Hong Cheng; Rong-Shun Wang; Chang-Lu Shao; Shi-Lun Qiu

Book ID
114141772
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
190 KB
Volume
578
Category
Article
ISSN
0166-1280

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Ab initio and DFT studies of the weakly
Ab initio and DFT studies of the weakly bound nitrogen molecule complexes (N2)n (n=3–6)
✍ Qianshu Li; Penggang Yin; Yongdong Liu; Au Chin Tang; Hongxing Zhang; Yanbo Sun 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 263 KB

A theoretical research on the low-energy structures, binding energies, and Raman spectra of the (N 2 ) n (n ¼ 3-6) complexes has been systematically explored. Similar to the water trimer, the energetically lowest-lying structure of the nitrogen molecule trimer is a C 3h -symmetric cyclic structure.