Mingguang Yao, Thomas Wågberg, Wen Cui, Quanjun Li, Bingbing Liu, Tian Cui, Bo Zou, Bertil Sundqvist, Dedi Liu CrystEngComm | 2011 | 10.1039/C0CE00953A
C 60
nanotubes with outer diameters ranging from 400–800 nm were polymerized at 1.5 GPa, 573 K and 2.0 GPa, 700 K, respectively. Raman and photoluminescence spectroscopy were employed to characterize the polymeric phases of the treated samples. Both Raman...
Stéphane Carniato, Maria Novella Piancastelli, Bastien Casier, Nicolas Sisourat, Nathalie Capron, Marc Simon Phys. Chem. Chem. Phys. | 2015 | 10.1039/C5CP02023A
We theoretically investigate the mechanism of tautomerism in the gas-phase acetylacetone molecule. The minimum energy path between the enolone and diketo forms has been computed using the Nudged-Elastic Band (NEB) method within the density-functional theory...