38 citations
- Centre National de la Recherche ScientifiqueFR3 papers
- Institut de Ciència de Materials de BarcelonaES3 papers
- Institut National des Sciences Appliquées de ToulouseFR3 papers
- Landau Institute for Theoretical PhysicsRU3 papers
- Russian Academy of SciencesRU3 papers
- Université Toulouse III - Paul SabatierFR3 papers
- Institut LangevinFR2 papers
- Ben-Gurion University of the NegevIL1 paper
- Institució Catalana de Recerca i Estudis AvançatsES1 paper
- Institute for High Pressure PhysicsRU1 paper
- Institut Laue-LangevinFR1 paper
- Siberian Federal UniversityRU1 paper
18 papers
Reaction barriers and deformation energies of C60-based composites
Elena F Sheka, Landysh Kh Shaymardanova
The current paper is aimed at the determination of barriers that govern the covalent coupling between two fullerenes C60 (C60 dimer), C60 and single-walled carbon nanotube ([C60-(4…
Graphane as polyhydride of graphene. Computational synthesis applied to two-side membrane
Elena F Sheka, Nadezhda A Popova
A great efficacy of molecular quantum chemistry applied to basic graphene problems has been recently demonstrated by the authors when studying the formation of peculiar composites…
Numerical analysis of relaxation times of multiple quantum coherences in the system with a large number of spins
S. I. Doronin, E. B. Fel'dman, A. I. Zenchuk
We study the decay of multiple quantum (MQ) NMR coherences in systems with the large number of equivalent spins. As being created on the preparation period of MQ NMR experiment, th…
Photostimulated spin-flip and the photodynamic therapeutic effect of fullerene solutions
Elena F. Sheka
A new mechanism of photodynamic therapeutic effect of fullerene solution is suggested. Spin flip of electrons in oxygen molecule in the vicinity of negative-positive ion pair of fu…
Stepwise Computational Synthesis of Fullerene C60 derivatives. 2.Hydrogenated Fullerenes from C60 to C60H60
Elena F. Sheka
Hydrogenation from C60 to C60H60 has been studied by unrestricted broken spin symmetry Hartree-Fock approach implemented in semiempirical codes based on AM1 technique. The calculat…
Quantum Entanglement in Nitrosyl Iron Complexes
S. M. Aldoshin, E. B. Feldman, M. A. Yurishchev
Recent magnetic susceptibility measurements for polycrystalline samples of binuclear nitrosyl iron complexes [Fe_2(C_3H_3N_2S)_2(NO)_4] (I) and [Fe_2(SC_3H_5N_2)_2(NO)_4] (II), sug…