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The influence of methyl groups on the torsion angle and on the energetics of 1-phenylpyrrole derivatives: a thermodynamic and computational study

✍ Scribed by Ana Filipa L. O. M. Santos, Manuel A. V. Ribeiro da Silva

Book ID
120779639
Publisher
Springer
Year
2013
Tongue
English
Weight
778 KB
Volume
24
Category
Article
ISSN
1040-0400

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The structures and stability of fullerene derivatives were obtained from the results of density functional theory calculations that were performed on 6 non-classical and 306 classical isomers of C 58 X 18 (X = H, F, Cl). The calculated results demonstrated that the most energetically stable isomers