Paper Citing NAMD - Abstract
Dendzik, Z.; Gorny, K.; Gburski, Z.
Cooperative dipolar relaxation of a glycerol molecular cluster in nanoscale confinement-a computer simulation study
JOURNAL OF PHYSICS-CONDENSED MATTER, 21 Art. No. 425101, OCT 21 2009
We performed an all-atoms molecular dynamics simulation of a glycerol molecular cluster confined in single-walled carbon nanotubes of different diameters to study the confinement size effect on the dipolar relaxation of glycerol molecules. We show that the many-body approach proposed by Dissado and Hill can be directly applied to simulation data and provides quantitative information concerning the cooperative nature of the dipolar relaxation of molecules in nanoscale confinement.
