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Theoretical study of the stable states of small carbon clusters Cn (n=2–10)

✍ Scribed by Kosimov, D.; Dzhurakhalov, A.; Peeters, F.

Book ID
111694031
Publisher
The American Physical Society
Year
2008
Tongue
English
Weight
733 KB
Volume
78
Category
Article
ISSN
1098-0121

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Theoretical study of linear Cn (n=6−10)
Theoretical study of linear Cn (n=6−10) and HCnH (n=2−10) molecules
✍ Qiang Fan; Gary V. Pfeiffer 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 545 KB

The geometric and electronic structures and the total and binding (chemisorption) energies of linear C. (n= 6-10) and H&H (n= 2-l 0) molecules have been predicted via RHF ab initio calculations. For C, clusters the bonding structures are predicted to be cumulene type, with n-even clusters hating tri