Generating Fullerenes at Random

On the Partially Random Generation of Fullerenes

generating a random sample from gamma distribution using generalized exponential distribution.

in this paper, we discuss generating a random sample from gamma distribution using generalized exponential distribution.

Electronic Properties of Hydrogen Adsorption on the Silicon- Substituted C20 Fullerenes: A Density Functional Theory Calculations

The B3LYP/6-31++G** density functional calculations were used to obtain minimum geometries and interaction energies between the molecular hydrogen and nanostructures of fullerenes, C20 (cage), C20 (bowl), C19Si (bowl, penta), C19Si (bowl, hexa). The H2 molecule is set as adsorbed in the distance of 3Å at vertical position from surface above the pentagonal and hexagonal sites of nanostructures. ...

Computational Investigation of the Efference of Different Fullerenes on Aktogen High Energy

In this research, HMX energy derivatives with different carbon-containing fullerenes in different temperature conditions were studied using density functional theory. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. Then, the process of changing the energy-dependent parameters such as specific heat capacity, entha...

Probability Generating Functions for Sattolo’s Algorithm

In 1986 S. Sattolo introduced a simple algorithm for uniform random generation of cyclic permutations on a fixed number of symbols. Recently, H. Prodinger analysed two important random variables associated with the algorithm, and found their mean and variance. H. Mahmoud extended Prodinger’s analysis by finding limit laws for the same two random variables.The present article, starting from the ...