Conformational preference analysis in C₂H₆ using orbital forces and non-covalent interactions; comparison with related systems

Physical Chemistry Chemical Physics（2023）

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摘要

The orbital forces reveal the origins (attractive/repulsive, Sigma/pi) of the conformational preference and their relative weights.

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conformational preference analysis,orbital forces,interactions,,non-covalent

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Conformational preference analysis in C2H6 using orbital forces and non-covalent interactions; comparison with related systems