Theory of damped quantum rotation in nuclear magnetic resonance spectra. II. Numerical simulations for the benzene rotor

• Published in: The Journal of chemical physics Vol. 127; no. 18; p. 184504
• Main Authors: Ratajczyk, T, Szymański, S
• Format: Journal Article
• Language: English
• Published: United States 14.11.2007

In Part I of this series of papers, the damped quantum rotation (DQR) theory, formulated originally for hindered threefold molecular rotors in solids, was generalized to the N-fold case. The stochastic dynamics of such objects, evidenced in NMR line shapes, was shown to be more complicated than in t...