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Isolated pentagon rule in buckybowls: a computational study on thermodynamic stabilities and bowl-to-bowl inversion barriers

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Keywords: bowl-to-bowl inversion barrier; buckybowls; density functional theory; isolated pentagon rule; relative stability

Document Type: Research Article

DOI: http://dx.doi.org/10.1016/j.tet.2003.09.007

Affiliations: Molecular Modelling Group, Organic Chemical Sciences, Indian Institute of Chemical Technology, 500 007, Hyderabad, India

Publication date: October 13, 2003

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