Structures and Energetics of Borafullerene Dimer Conformers
Source abstract
Abstract
We studied the geometrical structures and energetics of borafullerene dimer conformers by using the semiempirical Hartree-Fock (HF) MNDO and ab initio quantum chemical methods. The anti conformer is more stable than the syn. The most stable conformer is the gauche form.
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Research context
OpenAlex topics: Fullerene Chemistry and Applications · Boron and Carbon Nanomaterials Research · Diamond and Carbon-based Materials Research
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