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A note on the theoretical studies of C60 benzenoids

✍ Scribed by S.J. Cyvin

Book ID
113256935
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
292 KB
Volume
208
Category
Article
ISSN
0166-1280

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The equilibrium geometries, heats of formation, and harmonic vibrational frequencies of hydrogenated buckminsterfullerene derivatives CsOH60\_6n containing l-8 benzenaid units were computed using MNDO and AM1 methods. Although the Hessian indices indicate that all such structures are true minima, th