On the molecular properties of polyaniline: A comprehensive theoretical study

Polymer

Volumn 49, Issue 23, 2008, Pages 5169-5176

  Alemán, Carlos ^a   Ferreira, Carlos A ^b   Torras, Juan ^a   Meneguzzi, Alvaro ^b   Canales, Manel ^a   Rodrigues, Marco A S ^b   Casanovas, Jordi ^c  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^b FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

^c UNIVERSITY OF LLEIDA   (Spain)

Author keywords

Conducting polymer; Polaron; Polyaniline

Indexed keywords

CONDUCTING POLYMERS; ELECTRONIC PROPERTIES; ENERGY GAP; POLARONS; POLYANILINE; POLYPEPTIDES; QUANTUM THEORY;

AB INITIO AND DFT; LEUCO-EMERALDINE; MOLECULAR PROPERTIES; PERNIGRANILINE BASE; PERNIGRANILINE BASE FORM; QUANTUM MECHANICAL METHOD; QUANTUM-MECHANICAL CALCULATION; THEORETICAL STUDY;

CALCULATIONS;

ELECTRONICS; MOLECULAR STRUCTURE; OLIGOMER; POLYANILINE;

EID: 54249140898     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2008.09.023     Document Type: Article

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