Recently, a new sulfide cluster fullerene, Sc2S@Cs (10528)-C72 containing two pairs of fused pentagons has been isolated and characterized (Chen et al., J. Am. Chem. Soc., 2012, 134, 7851). Inspired by this investigation, we propose a question: what properties will be influenced by the interaction between the encapsulated V-shaped polar molecule and C72? To answer this question, four encapsulat...

In this study, we report production, isolation, and characterization for the relatively small endohedral metallofullerene, La2@C72. As described, La2@C72 is readily isolated from conventional electric-arc-generated carbon/metal soot. This new species was purified by HPLC chromatography and characterized by laser desorption mass spectrometry and UV-vis spectroscopy. The mass spectrum also demons...

Abstract Background Several clinical data in humans demonstrate that atrial fibrillation (AF) dominant frequencies and rotors are mostly localized on the posterior wall (PW), but correlation among these phenomena abnormal conduction properties during sinus (SR) paced rhythm (PR) has never been analyzed. Aims. To provide a characterization of left PW patients affected by persistent AF. In partic...

Relative concentrations of six isomeric Eu@C 72 -one based on the IPR C 72 cage (i.e., obeying the isolated-pentagon rule, IPR), two cages with a pentagon-pentagon junction (symmetries C 2 and C 2 v ), a cage with one heptagon, a cage with two heptagons, and a cage with two pentagon-pentagon fusions-are DFT computed using the Gibbs energy in a broad temperature interval. It is shown that the tw...

The forcing polynomial and anti-forcing are two important enumerative polynomials associated with all perfect matchings of a graph. In graph large order, the exhaustive enumeration which is used to compute number given matching too time-consuming number. this paper, we come up an efficient method — integer linear programming, matching. As applications, obtain di-forcing C60 , C70 C72 as consequ...

We develop an index of competitiveness and cooperativeness that is based on the primitives a normal-form game, i.e., players, strategies payoffs. The relies unique decomposition given game into zero-sum common interest game. decreases in distance to its part increases part. comparative statics our coincide with economic intuition. also supports experimental findings well-known classes games sen...

A new allotropic form of carbon is proposed. The molecular structure of a cavernous C72 molecule has been optimized at the density functional theory level. The structure belonging to the Oh point group was found to be a minimum on the potential energy surface. Current-density calculations show that the gaudiene molecule with formally 72 π electrons sustains strong diatropic currents when expose...