[HTML][HTML] Shannon entropy and Fisher information for endohedral confined one-and two-electron atoms

C Martínez-Flores - Physics Letters A, 2021 - Elsevier
In this work, we study the Shannon entropy and Fisher information of the H, He, Li+, and Be
2+ atoms confined by a C 60 cavity. The fullerene cavity is described by three model …

Simulation of scattering processes of nitrogen atoms on C60 fullerenes

D Alyabev, I Yadgarov, L Galiakhmetova - AIP Conference …, 2022 - pubs.aip.org
In the present work, the results of molecular dynamics simulation of the central scattering of
nitrogen atoms by C60 fullerenes with different impact parameters is presented. Three …

Effect of charge transfer on elastic scattering of electron from Ar@ C60: Dirac partial wave calculation

KA Dubey, J Jose - The European Physical Journal Plus, 2021 - epjplus.epj.org
Elastic electron scattering from C 60 and Ar@ C 60 is studied using the Dirac partial wave
methodology. The endohedral environment is approximated as an atom trapped in an …

Ab initio calculation of electrostatic potentials for C60 and C80

X Xu, Y Zhang, B Li, X Chen - Journal of Physics B: Atomic …, 2020 - iopscience.iop.org
Ab initio calculations of electrostatic potentials of C 60 and C 80 have been performed at the
B3LYP/6-31G (d) level. Comparisons of the present calculations with phenomenological …

Effects of anisotropy on the resonant scattering of Hydrogen atom from the fullerene C60

KA Dubey, K Srikanth, TR Rao… - Journal of Physics …, 2020 - iopscience.iop.org
From a macroscopic point of view, the C 60 and the interaction offered by it is considered
spherical because of its symmetry. However, the C 60 is formed of hexagonal and …

Elastic electron scattering from A@ Cn (A= Ca, Mg, n= 60, 20)

J Wei, B Li, X Chen - Journal of Physics B: Atomic, Molecular and …, 2020 - iopscience.iop.org
We report on elastic electron scattering cross sections from Ca and Mg confined by C 60 and
C 20 using the optical potential method. We demonstrate the diffuse effect caused by a …

Revival of resonance shape parameter in elastic scattering of H atom with charged fullerenes C60z+

KA Dubey, J Jose - Chemical Physics, 2020 - Elsevier
Scattering resonances in the elastic collision of a hydrogen atom with positively charged
fullerenes (C 60 z+) are studied computationally employing different model potentials …

Relativistic Atomic Structure Calculations and Study of Plasma Parameters of Rb-Like Strontium Confined Inside Fullerene

B Goswami, M Ahmad, J Jose… - Available at SSRN … - papers.ssrn.com
This article presents a maiden investigation into the electronic structural properties and
plasma characteristics for Rb-like strontium ion confined inside fullerene. The Dirac …

[PDF][PDF] Моделирование рассеяния атомов водорода на углеродных нанотрубках

УБ Улжаев, ДВ Алябьев, ИД Ядгаров - «Узбекский физический журнал», 2022 - ufj.uz
Методами молекулярной динамики (ReaxFF, LAMMPS) проведены модельные
эксперименты по рассеянию атомов водорода поверхностью углеродной нанотрубки …

Моделирование взаимодействия углеродных нанотрубок с атомами водорода

УБ Улжаев, ДВ Алябьев, ИД Ядгаров… - «Узбекский физический …, 2021 - ufj.uz
Аннотация Методами молекулярной. динамики (ReaxFF, LAMMPS) проведены
модельные эксперименты по рассеянию атомов водорода поверхностью углеродной …