Extended Hückel method

Known as: Extended Huckel theory, Extended Hueckel theory, Extended Huckel method 
The extended Hückel method is a semiempirical quantum chemistry method, developed by Roald Hoffmann since 1963. It is based on the Hückel method but… (More)
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1988-2017
024619882017

Papers overview

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2014
2014
Pharmacophore models play an essential role in drug discovery. Generating pharmacophore models which encode accurate molecular… (More)
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2014
2014
Spin-resolved conductivities in magnetic tunnel junctions are calculated using a semiempirical tight-binding model and non… (More)
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2013
2013
In the present work we use a selfconsistent version of the EHT to study the electronic transport in metallic carbon nanotubes… (More)
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2013
2013
In this paper, we perceived the effect of sulphur and selenium as anchoring groups on the nanometre scale electron transport… (More)
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2009
2009
The electronic-structure of a bilayer graphene is different from the single layer graphene due to coupling between the two layers… (More)
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2008
2008
The extended huckel theory (EHT)-based NEGF method is applied to perform atomistic quantum transport simulation of Schottky and… (More)
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2006
2006
We describe a semiempirical atomic basis extended Hückel theoretical EHT technique that can be used to calculate bulk band… (More)
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2006
2006
In this second paper, we develop transferable semiempirical extended Hückel theoretical EHT parameters for the electronic… (More)
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