Pre-fragmentation dynamics of C60. A molecular dynamics investigation
β Scribed by S. Serra; S. Sanguinetti; L. Colombo
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 449 KB
- Volume
- 225
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
We investigate by classical molecular dynamics the pre-fragmentation dynamics of a Cm molecule, occurring above 4500 K, and calculate the curve of the caloric equation of state. We discuss the solid-to-liquid transition displayed by Cso just below the disintegration temperature. Moreover, we report on the existence of a phase characterized by hoppings among different isomeric structures. A metastable liquid-like state is observed and discussed as well.
π SIMILAR VOLUMES
Structural and dynamical effects on a RNA fragment in aqueous solution have been investigated by molecular dynamics simulations at atmospheric pressure and at two high pressures, 5000 and 12000 arm. The atomic fluctuations of the RNA fragment decreased and the diffusion of ion and water molecules wa
A newly developed universal parameter tight-binding molecular dynamics technique is used to optimize the structure of C&,0 and C,Ox. The most stable complex for CsoO is found to be the epoxide, in agreement with experimental results. Incorporation of two oxygens is found to break an underlying carbo
Time-resolved fluorescence depolarisation spectroscopy was used for measuring rotational reorientation times ( 7r) of C& and C,,, in toluene as a function of temperature. The anisotropy decay could not be monitored at any temperature (296-l 91 K) . The plausible reasons could be either washing off a