Particle in a One-Dimensional Box as a Model for the Description of Conjugated Systems

The usual «particle in a one-dimensional box» model for the description of the first absorption band of conjugated polyenes is criticized because it leads to the wrong prediction that the energy of the highest occupied molecular orbital (HOMO) is independent of the chain length, which means that th...

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Bibliographic Details
Main Author: Gion Calzaferri
Format: Article
Language:deu
Published: Swiss Chemical Society 1987-08-01
Series:CHIMIA
Online Access:https://www.chimia.ch/chimia/article/view/9804
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