"The theory of hindered motions of small molecules and molecular fragments in crystals and liquids allows one to obtain detailed knowledge of both the crystal structure and the dynamical behavior of molecules. Application of the theory to describe such phenomena as NMR relaxatio…
A teaching and awareness text that provides an ideal grounding in the subject. Simple, non-mathematical discussion. Relates chemistry to physical and engineering properties.
The principal results of this paper involve the extension of the time-dependent Born-Oppenheimer approximation to accommodate the propagation of nuclei through generic, minimal multiplicity electron energy level crossings. The Born-Oppenheimer approximation breaks down at electr…
Computer simulation of liquids
by Allen, Michael P., Tildesley, Dominic J.
fromOxford science publications