Ab initio calculations performed on a series of lanthanide encapsulated fullerenes reveal {DyOSc}@C82 to be one of the best host-guest pairs to offer a barrier height exceeding 1400 cm-1. The high-symmetry environment preserved inside the cage quenches the QTM effects up to third-excited states leading to very larger barrier heights and this opens up a new possibility of obtaining attractive SM...

Spherical carbon cages of fullerene molecules interact by van der Waals forces to form close-packed arrangements in the solid state, such as the face-centered cubic lattice formed by C60 at room temperature. [1] Owing to the low directionality and low energy of the interfullerene interactions neutral fullerene molecules (such as C60) are freely rotating in the crystal at room temperature. Contr...

Submitted to the NANOTUBE'04 Conference: Synthesis of Peapods Directly on Substrates Y. Ohno, Y. Kurokawa, T. Shimada, Y. Murakami, A. Sakai, K. Hiraga, M. Ishida, T. Okazaki, S. Kishimoto, S. Maruyama, H. Shinohara, and T. Mizutani Dept. of Quantum Eng., Nagoya Univ., Japan, PRESTO/JST, Japan, Dept. of Chemistry, Nagoya Univ., Japan, Dept. of Mechanical Eng., The Univ. of Tokyo, Japan, Inst. o...

Synthesizing unprecedented diamagnetic adducts of an endohedral metallofullerene was achieved by using 1,3-dipolar cycloaddition reaction of paramagnetic La@C(s)-C82 with a simultaneous hydrogen addition. The selective formation of two main products, La@C(s)-C82HCMe2NMeCHPh (2a and 2b), was first detected by HPLC analysis and MALDI-TOF mass spectrometry. 2a and 2b-O, which was readily formed by...

Metallofullerenes have many possible uses in technology and even in bio-medical applications. Some fullerenes have been found to have two incarcerated metal atoms such as M2@C80 (M 1⁄4 La, Ce, etc.). We have calculated the structural and electronic properties of Ce2@C80 using density functional theory (DFT). Ce is known to be preferentially incorporated into the Ih symmetric C80 isomer as La do...

Google Econometrics and Unemployment Forecasting The current economic crisis requires fast information to predict economic behavior early, which is difficult at times of structural changes. This paper suggests an innovative new method of using data on internet activity for that purpose. It demonstrates strong correlations between keyword searches and unemployment rates using monthly German data...

This work presents a new technique for temporally benchmarking a time series according to the growth rates preservation principle (GRP) by Causey and Trager (1981). A procedure is developed which (i) transforms the original constrained problem into an unconstrained one, and (ii) applies a Newton’s method exploiting the analytic Hessian of the GRP objective function. We show that the proposed te...

The natural rate is the equilibrium rate under flexible prices, and the gap is the difference between the actual and natural rates. Since prices adjust eventually, the Beveridge–Nelson (B–N) decomposition gives the statistical counterparts of the two notions. Measuring cycles in the gap is of interest from the new neoclassical synthesis perspective. The Bayesian multivariate B–N decomposition g...