Simulations files for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"

Simulations files for the article "Molecular Conformation and Bilayer Pores in a Nonionic Surfactant Lamellar Phase Studied with 1H–13C Solid-State NMR and Molecular Dynamics Simulations"

Ferreira et al. Langmuir, 2014, 30 (2), pp 461–469

http://dx.doi.org/10.1021/la404684r

The simulation trajectories can be found from:

60 wt% C12E5, T=298K   http://dx.doi.org/10.5281/zenodo.28595

60 wt% C12E5, T=320K   http://dx.doi.org/10.5281/zenodo.28637

60 wt% C12E5, T=333K   http://dx.doi.org/10.5281/zenodo.28638

70 wt% C12E5, T=298K   http://dx.doi.org/10.5281/zenodo.20368

70 wt% C12E5, T=320K   http://dx.doi.org/10.5281/zenodo.20561

70 wt% C12E5, T=333K   http://dx.doi.org/10.5281/zenodo.20664

80 wt% C12E5, T=298K  http://dx.doi.org/10.5281/zenodo.20221