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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… 
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Papers overview

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2015
2015
The electrolyte thermodynamic models have been extensively studied for carbon dioxide – water system for the prediction of vapour… 
2012
2012
Let G be a finite connected simple graph and μ(G) be the Mycielskian of G. We show that for connected graphs G and H, μ(G) is… 
2008
2008
A comparative study of graphene nanoribbon MOSFET (GNR-FET) using the extended Huckel theory (EHT) and tight-binding (TB) is… 
2008
2008
The extended huckel theory (EHT)-based NEGF method is applied to perform atomistic quantum transport simulation of Schottky and… 
2005
2005
The scaling-down of devices to the atomistic scale lets them operate close to their ballistic limit. At these dimensions the… 
2002
2002
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… 
2000
2000
In order to have an initial molecular geometry simply and fast, we modified the extended H¨uckel method and developed a geometry… 
1994
1994
A semiempirically parameterized version of the extended Hückel molecular orbital method has been combined with an efficient quasi… 
1982
1982
Erich Hückel, who was elected a Foreign Member of the Royal Society on 21 April 1977, died at the age of 84 on 16 February 1980…