Fullerene Stability by Geometrical Thermodynamics

On the Geometrical Thermodynamics of Chemical Reactions

Abstract. The formal structure of geometrical thermodynamics is reviewed with particular emphasis on the geometry of equilibria submanifolds. On these submanifolds thermodynamic metrics are defined as the Hessian of thermodynamic potentials. Links between geometry and thermodynamics are explored for single and multiple component, closed and open systems. For single component, closed thermodynam...

Stability of Fullerene-based Systems

ehemical modification of fullerenes such as the C60 molecule is a promising way to generate novel materials with tailored properties. Exohedral insertion of atoms in the interstitial sites of the Coo solid has created a new class of superconductors. Encapsulation of atoms in the fullerene cage is expected to lead to stable M@C(,() endohedral complexes with a very interesting optical response. W...

Kinetics and solvent-dependent thermodynamics of water capture by a fullerene-based hydrophobic nanocavity.

Kinetic and thermodynamic properties of water encapsulation from organic solution by an open-cage [60]fullerene derivative have been investigated. 2D exchange NMR spectroscopy (EXSY) measurements were employed to determine the association and dissociation constants at 300-330 K (k(a) = 4.3 M(-1) × s(-1) and k(d) = 0.42 s(-1) at 300 K) in 1,1,2,2-tetrachloroethane-d(2) as well as the activation ...

A Geometrical Stability Condition for Compressed Sensing

During the last decade, the paradigm of compressed sensing has gained significant importance in the signal processing community. While the original idea was to utilize sparsity assumptions to design powerful recovery algorithms of vectors x ∈ R, the concept has been extended to cover many other types of problems. A noteable example is low-rank matrix recovery. Many methods used for recovery rel...

Thermodynamics of Protein Folding and Stability