Hückel Method Chrome extension icon

Hückel Method

👥 177 users
📦 v0.0.0.1
💾 25.82KiB
📅 2014-07-03
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Overview

Draw and model the pi-system of conjugated molecules at the Hückel level of theory. A Hückel model is a tight-binding model describing the electrons in the pz orbitals of conjugated molecules.

The Hückel method program calculates the molecular orbitals and makes it possible to simulate a molecular junction by calculating the transmission resolvents for your choice of connecting orbitals.

Requests for additional features are welcome.

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