Manel Canales i Gabriel

Associate professor
Campus Nord (UPC), Edifici B4-B5, Despatx B5-204
Jordi Girona, 1-3
08034 Barcelona

Telèfon: +34 4017287
E-Mail: manel.canales

upc.edu
Web del grup de recerca: http://simcon.upc.edu/en
Web personal: https://futur.upc.edu/ManelCanalesGabriel

1- A comprehensive molecular dynamics simulation of plastic and liquid succinonitrile: structural, dynamic, and dielectric properties
Canales, M.; Skarmoutsos, I.; Guardia, E.
Journal of chemical physics 161, 17, article 174503 (2024)

2- Computer simulation study of ion-water and water-water hydrogen bonds in methanesulfonic acid solutions at room temperature
Canales, M.; Guardia, E.
Journal of Molecular Liquids 377, 121518 (2023)

3- Computer simulation study of ion-water and water-water hydrogen bonds in sulfuric acid solutions at low temperatures
Canales, M.; Guardia, E.
Journal of Molecular Liquids 347, 118351 (2022)

4- Water-water and ion-water hydrogen bonding in sulfuric acid solutions
Canales, M. ; Guardia, E.
Journal of Molecular Liquids 293, 111463 (2019)

5- A comparative molecular dynamics study of sulfuric and methanesulfonic acids
Canales, M. ; Guardia, E.
Journal of Molecular Liquids 224, 1064-1073 (2016)

6- Competing structures within the first shell of liquid C2Cl6: a molecular dynamics study
Henao, A. ; Pothoczki, S. ; Canales, M. ; Guardia, E. ; Pardo, L.
Journal of Molecular Liquids 190, 121-125 (2014)

7- Molecular dynamics simulation study of methanesulfonic acid
Canales, M. ; Aleman, C.
Journal of Physical Chemistry B 118, 3423-3430 (2014)

8- Polyaniline emeraldine salt in the amorphous solid state: polaron versus bipolaron
Canales, M. ; Torras, J. ; Fabregat, G. ; Meneguzzi, A. ; Aleman, C.
Journal of Physical Chemistry B 118, 11552-11562 (2014)

9- Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops
Casanovas Salas, Jordi ; Canales, M. ; Fabregat, G. ; Aleman, C. ; Meneguzzi, A.
Journal of Physical Chemistry B 116, 7342-7350 (2012)

10- "Water absorption in polyaniline emeraldine base"
Canales, M. ; Aradilla, D. ; Aleman, C.
Journal of Polymer Science. Part B, polymer physics 49, 1322-1331 (2011)

11- Modeling of amorphous polyaniline emeraldine base
Canales, M. ; Curcó, D. ; Aleman, C.
Journal of Physical Chemistry B 114, 9771-9777 (2010)

12- Helical Dendronized Polymers with Chiral Second-Generation Dendrons: Atomistic View and Driving Forces for Structure Formation
Rodriguez, F. ; Canales, M. ; Zanuy, D. ; Zhang, A. ; Schlüter, A. ; Aleman, C.
Journal of Physical Chemistry B 113, 14868-14876 (2009)

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

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

15- "On the molecular properties of polyaniline: A comprehensive theoretical study"
Aleman, C. ; Ferreira, C.A. ; Torras, J. ; Meneguzzi, A. ; Canales, M. ; Rodrigues, M. ; Casanovas Salas, Jordi
Polymer 49, 5169-5176 (2008)

16- Influence of torsional barriers on the glass transition temperature of linear polymers
Canales, M. ; Sese, G.
Journal of Molecular Liquids 136, 206-210 (2007)

17- On the analysis of conformational dynamics in polymers with several rotational isomers
Canales, M. ; Sese, G.
Journal of Chemical Physics 125, 54906-54911 (2006)

18- On the relationship between intramolecular dynamics and the density of states
Canales, M. ; Sese, G.
Molecular simulation 30, 529-535 (2004)

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

20- "Self-dynamic structure factor of dense liquids: Theory and simulation"
Canales, M.
Physical Review E 63, 011207 (2001)

21- "Comment on "
Padro, J. ; Canales, M.
Physical Review Letters 87, 039601 (2001)

22- "Dynamical properties of lennard jones fluids and liquid metals"
Canales, M.
Physical Review E 60, 551-558 (1999)

23- "Static structure and dynamics of the liquid LiNa and LiMg alloys"
Canales, M. ; González, D. ; Gonzalez, L.
Physical Review E 58, 4747-4757 (1998)

24- Generalized Langevin dynamics simulations of NaCl electrolyte solutions
Canales, M. ; Sese, G.
Journal of Chemical Physics 109, 6004-6011 (1998)

25- "Static and dynamic structure of liquid metals:role of the different park of the interaction pscential"
Canales, M. ; Padro, J.
Physical Review E 56, 1759-1764 (1997)

26- "On the mode-compling theory for the velocity autocorrelation fuctions of simple liquids"
Canales, M. ; Padro, J.
Journal of Physics: Condensed Matter 9, 11009-11021 (1997)

27- "Atomic dynamics in liquid lithium a theoretical study"
Gonzalez, L. ; Canales, M.
Zeitschrift für Physik B 100, 601-611 (1996)

28- "Molecular dynamics simulation of limg and lina alloys"
Canales, M. ; Giro, A. ; Padro, J.
Journal of non-crystalline solids 205-207, 907-910 (1996)

29- "Computer simulation study of liquid lithium at 470 and 843 k"
Canales, M. ; Gonzalez, L. ; Padro, J.
Physical Review E 50, 3656-3669 (1994)

30- "Molecular dynamics simulation of liquid lithium"
Canales, M. ; Giro, A.
Journal of Physics: Condensed Matter 5, 3095-3102 (1993)

31- "On the bond-angle distributions"
Canales, M.
Molecular Simulation 8, 335-344 (1992)

32- "Fractal analysis of atomic motions"
Canales, M.
Molecular Physics 68, 423-426 (1990)

33- "Time correlation functions in isotopic liquid mixtures"
Padró, J.A.; Canales, M.; Sesé, G.; Giró, A.
Physica A 148, 253-266 (1987)