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Hydrated Sulfate Clusters SO 4 2- (H 2 O) n (n = 1-40): Charge Distribution Through Solvation Shells and Stabilization O molecules are required for its stabilization. In the current work, we report our computational
Virtual vibrational spectrometer for sp2 carbon clusters. 1. Polycyclic benzenoid-fused hydrocarbons-quantum harmonic spectra of IR absorption and Raman scattering of closed-shell and open-shell molecules
Graphene quantum dots: Theory and experiment that is related to open-shell character of electronic systems of framed graphene molecules. The feature
Continuous symmetry of C60 fullerene and its derivatives into account. Passing to the open-shell approximation has led to both the energy and the symmetry lowering up
Silicene is a phantom material correlation in open-shell molecules. High radicalization of silicene and quantum instability of flat honeycomb
sp(2) Carbon Stable Radicalssp(2) Nanocarbons such as fullerenes, carbon nanotubes, and graphene molecules are not only open-shell
Spin Effects in sp2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory of spin effects characteristic for sp2 nanocarbon open-shell molecules (fullerenes, carbon nanotubes
Highly luminescent nanocomposites of nematic liquid crystal and hybrid quantum dots CdSe/CdS with ZnS shellThis work is focused on synthesis of highly luminescent hybrid CdSe/CdS ”core/shell” quantum dots
Virtual Vibrational Spectrometry of Stable Radicals—Necklaced Graphene MoleculesThe article presents results of an extended virtual experiment on graphene molecules per
Использование нанофлюидов на основе углеродных наночастиц для вытеснения нефти из модели пористой среды with hydrocarbon molecules, the use of graphene has become possible in the oil industry. Graphene-based nanofluids
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