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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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Related topics

8 relations
Ab initio quantum chemistry methodsCNDO/2Computational chemistryHückel method
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Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2013
Highly Cited
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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Highly Cited
2010
Highly Cited
2010
Semiempirical model for nanoscale device simulations
We present a semiempirical model for calculating electron transport in atomic-scale devices. The model is an extension of the… 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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Highly Cited
2006
Highly Cited
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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2005
2005
Adsorption of CO on PtBi2 and PtBi surfaces
Approximate molecular orbital calculations have been applied to explain the low CO poisoning effects observed at PtBi2 and PtBi… Expand
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2002
2002
Experimental and theoretical STM imaging of xylene isomers on Pd(111)
We have performed a theoretical and experimental study of the three isomers of xylene, C 6 H 4 (CH 3 ) 2 , adsorbed on Pd(111… Expand
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1994
1994
Fast geometry optimization using a modified extended Hückel method: Results for molecules containing H, C, N, O, and F
A semiempirically parameterized version of the extended Hückel molecular orbital method has been combined with an efficient quasi… Expand
Highly Cited
1964
Highly Cited
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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Highly Cited
1964
Highly Cited
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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