A First Principle Analysis of the Structure of Oligoanilines Doped with Alkylsulfonic Acids-Reference-Cited by-同舟云学术

A First Principle Analysis of the Structure of Oligoanilines Doped with Alkylsulfonic Acids

Published:2009-07-07 Issue:30 Volume:113 Page:8795-8800
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Casanovas Jordi¹,Canales Manel¹,Ferreira Carlos A.¹,Alemán Carlos¹

Affiliation:

1. Departament de Química, Escola Politècnica Superior, Universitat de Lleida, c/Jaume II n° 69, Lleida E-25001, Spain, Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Campus Nord-Mòdul B5, c/Jordi Girona 1-3, Barcelona E-08034, Spain, Universidade Federal do Rio Grande do Sul - DEMAT - Av. Bento Gonçalves, 9500 - setor 4- prédio 74 - Cep. 91501-970 - Porto Alegre - RS - Brazil, Departament d’Enginyeria Química, ETS d’Enginyers Industrials de Barcelona, Universitat...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp904618a

Reference34 articles.

1. Calculations of Band Gaps in Polyaniline from Theoretical Studies of Oligomers

2. Car-Parrinello molecular dynamics study of electronic and structural properties of neutral polyanilines

3. Acidification of three-dimensional emeraldine polymers: Search for minimum energy paths from base to salt

4. Theoretical study of the structure and electronic spectra of fully protonated emeraldine oligomers

5. A comparative ab initio and DFT study of neutral aniline oligomers

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