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Hückel method
Known as:
Hückel theory
, Hückel
, Sigma-pi separation
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The Hückel method or Hückel molecular orbital method (HMO), proposed by Erich Hückel in 1930, is a very simple linear combination of atomic orbitals…
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Related topics
Related topics
8 relations
Computational chemistry
Extended Hückel method
Hamiltonian (quantum mechanics)
Koopmans' theorem
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2012
2012
Scanning tunneling spectroscopy and Dirac point resonances due to a single Co adatom on gated graphene
A. Saffarzadeh
,
G. Kirczenow
2012
Corpus ID: 53580977
Based on the standard tight-binding model of the graphene $\pi$-band electronic structure, the extended H\"uckel model for the…
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2007
2007
Electronic Effects in CO Chemisorption on Pt-Pb Intermetallic Surfaces: A Theoretical Study
Chinmoy Ranjan
,
R. Hoffmann
,
F. Disalvo
,
H. Abruña
2007
Corpus ID: 53509540
The chemisorption of CO on surfaces of Pt-Pb intermetallic compounds, found to be useful as fuel cell electrocatalysts, was…
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2001
2001
Disrotatory and Conrotatory Transition Structures for the Fe(CO)3-Templated Rearrangement of Methylenecyclopropane to Trimethylenemethane
D. Tantillo
,
A. K. Carpenter
,
R. Hoffmann
2001
Corpus ID: 93860684
Hybrid HF-DFT calculations were used to compute the structures and relative energetics of competing disrotatory and conrotatory…
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2001
2001
Ion Exhange Equilibria in Nonaqueous and Mixed Solvents on the Cationic Exchanger Amberlite IR-120
A. Lucas
,
J. Valverde
,
M. Romero
,
J. Gomez
,
Juan F. Rodríguez
2001
Corpus ID: 56522482
Na+/K+ equilibrium ion exchange isotherms on Amberlite IR-120 (known as a strong acid resin) in pure methanol, ethanol, 2…
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2000
2000
Generalization of the Dewar formula for total energies of molecules
V. Gineitytė
2000
Corpus ID: 15856912
An expression for the total energies of molecules E was derived using the power series for the one-electron density matrix (DM) P…
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2000
2000
Extended Hückel Molecular Orbitals and Oscillator Strength Calculations
G. Calzaferri
,
Stephan Glaus
,
D. Brühwiler
2000
Corpus ID: 98662365
Highly Cited
1999
Highly Cited
1999
ELECTRONIC STATES IN A FINITE CARBON NANOTUBE : A ONE-DIMENSIONAL QUANTUM BOX
Á. Rubio
,
D. Sánchez-Portal
,
E. Artacho
,
P. Ordejón
,
J. Soler
1999
Corpus ID: 56246657
Angel Rubio,1,* Daniel Sanchez-Portal,2 Emilio Artacho,2 Pablo Ordejon,3 and Jose M. Soler2 1Departamento de Fisica Teorica…
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1987
1987
Remarkable properties of four-, five-, and six-membered diboraheterocycles
W. Siebert
1987
Corpus ID: 56143430
Abstract
1967
1967
Description et application d'une méthode de Hückel généralisée
G. Leroy
,
S. Jaspers
1967
Corpus ID: 98958199
1966
1966
Hückel Molecular Orbitals HMO
Heilbronner
,
Straub
Springer Berlin Heidelberg
1966
Corpus ID: 32667155
Die vorliegenden Tabellen enthalten fur eine Auswahl einfacher Bausteine die Resultate der Berechnung von Einelektronen…
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