Article ID Journal Published Year Pages File Type
5386638 Chemical Physics Letters 2009 8 Pages PDF
Abstract
The torsions between different heteroaromatic units (thiophene, pyrrole, and furan) have been studied in great detail. The outcome of the benchmark calculations aims at further guiding the modeling of polymer folding at conformational defects.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical approach to the conformational analysis of heteroaromatic dimers: 2-(2-Thienyl)pyrrole, 2-(2-thienyl)furan, and 2-(2-furyl)pyrrole
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