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Equations for magnetization in the generalized Hartree-Fock approximation (GHFA). II
Nigmatullin R.
Equations for magnetization in the generalized Hartree-Fock approximation (GHFA). II
Nanostructural magnetism of polymeric fullerene crystals
Sheka E.F., Zaets V.A., Ginzburg I.Ya.
the unrestricted Hartree-Fock approximation and the semiempirical AM1 method are presented. It is shown
Broken symmetry approach and chemical susceptibility of carbon nanotubes
Sheka E.F., Chernozatonskii L.A.
-symmetry unrestricted Hartree-Fock (UBS HF) SCF solution. The correct determination of the total number of effectively
Virtual vibrational spectrometer for sp2 carbon clusters. 2. Fullerene C60 and its isomers
Sheka E.F., Popova V.A.
is provided by a virtual vibrational spectrometer HF Spectrodin exploiting semi-empirical Hartree–Fock
Virtual vibrational spectrometer for sp2 carbon clusters and dimers of fullerene C60
Sheka E.F., Popova N.A.
unrestricted Hartree–Fock approximation, was used to perform computational spectrometry of C60, C66 and C70
Equations for magnetization in the generalized Hartree-Fock approximation (GHFA). II
Nigmatullin R.
Equations for magnetization in the generalized Hartree-Fock approximation (GHFA). II
Virtual Vibrational Spectrometry of Stable Radicals—Necklaced Graphene Molecules
Sheka E.F.
-formed using the virtual vibrational spectrometer HF Spectrodyn that exploits semiempirical Har-tree-Fock
Digital Twins in Graphene’ Technology
Sheka E.F.
Hartree-Fock approximations
Graphene-carbon nanotube composites
Sheka E.F., Chernozatonskii L.A.
the Hartree-Fock approximation. Computed profiles of the atomic chemical susceptibility along the tube
Цифровые двойники в технологии графена
Шека Е.Ф.
Hartree-Fock approximations

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