Browsing by Subject "Chemical bonds"

Now showing items 1-2 of 2

Dynamical cage behaviour and hydrogen migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates

Gorman, Paul D. ; English, Niall J. ; MacElroy, J. M. Don (American Institute of Physics, 2012-01-24)

Classical equilibrium molecular dynamics(MD) simulations have been performed to investigate dynamical properties of cage radial breathing modes and intra- and inter-cage hydrogen migration in both pure hydrogen and mixed ...
Rhodium-mediated activation of an alkane-type C–H bond

Krüger, Anneke ; Neels, Antonia ; Albrecht, Martin (RSC Publishing, 2010-01-14)

Abnormal C4-bonding of N-heterocyclic carbenes effectively modulates the electron density at rhodium and allows for the selective cleavage of an unactivated C(sp3)–H bond, whereas no such intramolecular C–H bond breaking ...