Hückel Method
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Hückel Method

huckelmethod.com
3.0(

2 ratings

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227 users
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Overview

Draw and solve chemistry Hückel molecular models. Calculate the molecular orbitals or the transmission resolvents.

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.

3 out of 52 ratings

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Details

  • Version
    0.0.0.1
  • Updated
    July 3, 2014
  • Size
    25.82KiB
  • Languages
    English
  • Developer
  • Non-trader
    This developer has not identified itself as a trader. For consumers in the European Union, please note that consumer rights do not apply to contracts between you and this developer.

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