Temperature-Dependent Dynamics of Endohedral Fullerene Sc2@C80(CH2Ph) Studied by EPR Spectroscopy

Endohedral fullerenes are promising materials for the quantum information and quantum processing due to the unique properties of the electron-nuclear spin system well isolated from the environment inside the fullerene...

Quantum states of the endohedral fullerene Li+@C60 surrounded by anions: energy decomposition analysis of nuclear wave functions

Lithium is the lightest metal element. To date, little is known about its quantized nuclear motion in nanoscale porous structures.

Strain manipulation of the local spin flip on Ni@B80 endohedral fullerene

From first principles, we theoretically investigate the strain manipulation of the ultrafast spin-flip processes on the Ni@B80 endohedral fullerene by using highly correlated quantum chemical calculations. It is shown that...

Энергетический спектр и спектр оптического поглощения фуллерена C-=SUB=-26-=/SUB=- в модели Хаббарда

Anticommutator Green’s functions and energy spectra of fullerene C26 and endohedral fullerene U@C26 with the D3h symmetry groups have been obtained in an analytical form within the Hubbard model and static fluctuation ap-proximation. The energy states have been classified using the methods of group theory, and the allowed transitions in the energy spectra of molecules C26 and U@C26 with the D3h symmetry groups have been determined.