Fig. 4: Dynamics and disorder in endohedral fullerenes.
From: Chemical shielding of H2O and HF encapsulated inside a C60 cage
Molecular dynamics simulations (T = 180 K) showing a the height of the O atom of the intra-cage H2O molecule above the Ag(111) surface and b the angle between the H2O C2 axis and the vertical (as defined in the inset). c Average Fc(T) (as radius length) and Pc(T) (as angle) values for H2O@C60 plotted on an Argand diagram, and their decomposition into two component vectors labelled 0 and 1. Black error bars show uncertainty in Pc and Fc plotted as an experimental vector.
