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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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2014
2014
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
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
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
In contrast with carbon nanotubes, graphene nanoribbons (GNRs) suffer from edge roughness that dilutes its chirality dependence… Expand
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2008
2008
$\text{Si}(001)\text{\ensuremath{-}}(2\ifmmode\times\else\texttimes\fi{}1)$ surface is one of the many two-dimensional systems of… Expand
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2006
2006
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
In this second paper, we develop transferable semiempirical extended Huckel theoretical (EHT) parameters for the electronic… Expand
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1994
1994
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
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
The conformations, relative stabilities, and electronic distribution of a sample of the more important carbonium ions and… Expand
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