Hückel Method icon

Hückel Method

by georglind

v0.0.0.1 Updated Jul 3, 2014 25.82KiB
CWS
162
Users
★ 3.00
2 reviews
#10423
of 47.6K
Other
Category
⚠️Not updated in over 2 years

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

Reviews

Loading reviews...

Details

Version 0.0.0.1
Updated Jul 3, 2014
Size 25.82KiB
First Seen Mar 22, 2026