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Extended Hückel method

Known as: Extended Huckel theory, Hückel, 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… Expand
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Ab initio quantum chemistry methodsCNDO/2Computational chemistryHückel method
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Papers overview

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2014
2014
The Green’s function for the Hückel (tight binding) model
Applications of the Huckel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix… Expand
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2013
2013
Effect of Ion–Ion Correlations on Polyelectrolyte Gel Collapse and Reentrant Swelling
Polyelectrolyte gels are known to exhibit strong response to changes in salt concentration, an effect attributed to osmotic… Expand
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2011
2011
Temperature-dependent internal friction of clay in a cylindrical heat source problem
The effect of the temperature dependence of the internal friction angle is studied in a boundary value problem simulating the… Expand
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2009
2009
Absolute control of chirality unnecessary for wide-narrow-wide graphene field effect transistor
In contrast with carbon nanotubes, graphene nanoribbons (GNRs) suffer from edge roughness that dilutes its chirality dependence… Expand
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2008
2008
Electrical transport in a two-dimensional electron and hole gas on a Si(001)-(2 X 1) surface
$\text{Si}(001)\text{\ensuremath{-}}(2\ifmmode\times\else\texttimes\fi{}1)$ surface is one of the many two-dimensional systems of… Expand
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2006
2006
Extended Hückel theory for band structure, chemistry, and transport. I. Carbon nanotubes
We describe a semiempirical atomic basis extended Huckel theoretical (EHT) technique that can be used to calculate bulk band… Expand
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2006
2006
Extended Hückel theory for band structure, chemistry, and transport. II. Silicon
In this second paper, we develop transferable semiempirical extended Huckel theoretical (EHT) parameters for the electronic… Expand
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1994
1994
Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F
A semiempirically parameterized version of the extended Huckel molecular orbital method has been combined with an efficient quasi… Expand
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1964
1964
Extended Hückel Theory. III. Compounds of Boron and Nitrogen
The extended Huckel theory is applied to compounds of boron and nitrogen, with emphasis placed upon similarities and differences… Expand
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1964
1964
Extended Hückel Theory. IV. Carbonium Ions
The conformations, relative stabilities, and electronic distribution of a sample of the more important carbonium ions and… Expand
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