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Extended states in disordered doped polyacetylene chains
(1992-09-01)
In this work we study the electronic structure of ordered and disordered distributions of soliton-type defects along large, finite chains of trans-polyacetylene (trans-PA), as a function of the concentration of defects. ...
Extended states in disordered doped polyacetylene chains
(1992-09-01)
In this work we study the electronic structure of ordered and disordered distributions of soliton-type defects along large, finite chains of trans-polyacetylene (trans-PA), as a function of the concentration of defects. ...
THE LIMITS OF THE EXTENDED HÜCKEL THEORY TO CALCULATE THE TOTAL DENSITY OF STATES OF MEDIUM-SIZED MOLECULES
(Sociedad Chilena de Química, 2006)
The limits of the extended hückel theory to calculate the total density of states of medium-sized molecules
(Sociedad Chilena de Química, 2006)
Two medium-sized molecular systems X60 (X=C,N) were analyzed using Extended Hückel, Density Functional and ab initio Hartree-Fock methods. The aim of the work was to test the reliability of the EHT methodology to calculate ...
Short-range order in linear binary alloys: Delocalization of states versus memory of ordered band structures
(American Physical SocCollege PkEUA, 1996)
NEAR-RESONANT SCATTERING FROM NONSYMMETRIC DIMERS - APPLICATIONS TO SUBSTITUTED POLYANILINES
(American Physical SocCollege PkEUA, 1994)
Quantifying the levitation picture of extended states in lattice models
(American Physical SocCollege PkEUA, 2002)
The limits of the extended Huckel theory to calculate the total density of states of medium-sized molecules
(SOCIEDAD CHILENA DE QUIMICA, 2006-12)
Two medium-sized molecular systems X-60 (X=C,N) were analyzed using Extended Huckel, Density Functional and ab initio Hartree-Fock methods. The aim of the work was to test the reliability of the EHT methodology to calculate ...
Extended states in interacting disordered polyacetylenelike chains
(American Physical SocCollege PkEUA, 1997)