Article ID Journal Published Year Pages File Type
5389424 Chemical Physics Letters 2007 8 Pages PDF
Abstract
Fullerene dimerization is governed by a donor-acceptor-complicated intermolecular interaction between monomer molecules. The reaction features are connected with a two-well structure of the ground state energy term. Analyzing characteristics of the term, proven by quantum-chemical calculations of the C60 + C60 binary systems at different starting intermolecular distances, mechanisms of both physically and chemically stimulated dimerization are suggested.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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