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Hückel Method

Hückel Method

by georglind
3.0
2 reviews
182
users
Published
July 3, 2014

Screenshots

Hückel Method screenshot 1
Hückel Method screenshot 2
Hückel Method screenshot 3
Hückel Method screenshot 4

Description

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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Quick Info

Version
0.0.0.1
Size
25.82KiB
Price
Free
Type
Extension

Languages

English