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Polymers

J. Casanovas, M. Canales, G. Fabregat, A. Meneguzzi, C. Alemán

Water absorbed by polianiline tends to organize forming nanodrops

Journal of Physical Chemistry B 116, 7342-7350 (2012)

 

M. Canales, D. Aradilla, C. Aleman

Water Absorption in Polyaniline Emeraldine Base

Journal of Polymer Science Part B: Polymer Physics 49, 1322-1331 (2011)


M. Canales, D. Curco, C. Aleman

Modeling of Amorphous Polyaniline Emeraldine Base

Journal of Physical Chemistry B 114, 9771-9777 (2010)


M. Canales
Influence of the torsional potential on the glass transition temperature and the structure of amorphous polyethylene
Physical Review E 79, 051802/1-10 (2009)

J. Casanovas, M. Canales, C. A. Ferreira, C. Alemán
A first principle analysis of the structure of oligoanilines doped with alkylsulfonic acids
Journal of Physical Chemistry A 113, 8795-8800 (2009)

C. Alemán, C. A. Ferreira, J. Torras, A. Meneguzzi, M. Canales, M. A. S. Rodrigues, J. Casanovas
On the molecular properties of polyaniline: A comprehensive theoretical study
Polymer 49, 5169-5176 (2008)

 

Manel Canales, Gemma Sesé
On the Relationship between Intramolecular Dynamics and the Density of States
Molecular Simulation 30, 529-535 (2004)

 

M. Canales, G. Sesé
Influence of microscopic interactions on the spectra of polyacetylene
Journal of Chemical Physics 118, 4237-4244 (2003)

 

G. Sesé, C. R. A. Catlow
A Molecular Dynamics study on pristine and doped polyacetylene
Philosophical Magazine B 68, 397-412 (1993)

 

Y. Mori, G. Sesé, C. R. A. Catlow
Molecular Dynamics and vibrational modes of doped polyacetylene
Synthetic Metals 55-57, 4493-4498 (1993)

 

G. Sesé, C. R. A. Catlow, B. Vessal
Molecular Dynamics simulations of polyacetylene
Molecular Simulation 9, 99-113 (1992)