© 2016 Hydrogen Energy Publications LLCDoped porous SiC nanostructures with metallic atoms, nanoclusters and nanoparticles have been recognized as promising materials for hydrogen storage. With this regards transition metal ...

The vibrational spectra of calix[4]arene (p-CAC) and thiacalix[4]arenes with azobenzene units having carboxylate groups in the para (p-CATC) and meta position (m-CATC) were recorded and analyzed. The calculated structures ...

The vibrational spectra of p-hexasulfonatocalix[6]arene hexasodium salt (SC6) and p‑tert-butylcalix[6]arene (TB6) were studied. The comparison of the IR spectra SC6 and TB6 allows to distinguish bands of tert‑butyl and ...

© 2017 Wiley Periodicals, Inc. Density-functional theory calculations of a series of organic biradicals on the basis of the N,N′-dioxy-2,6-diazaadamantane core with different substituents at carbon atoms adjacent to the ...

© Kazan Federal University (KFU).We report the observation of pulsed electron-nuclear double resonance (ENDOR) spectrum caused by interactions of the nitrogen nuclei14N with the unpaired electron of the paramagnetic vanadyl ...

© 2019 Elsevier B.V. Spectral study indicates that the hydroxyl groups of calixarene are involved in the formation of intramolecular hydrogen bonds which stabilize the conformation of the pleated loop. Spectral characteristics, ...

© 2017 Wiley Periodicals, Inc. Hydration of the copper(II) bis-complexes with glycine, serine, lysine, and aspartic acid was studied by DFT and MD simulation methods. The distances between copper(II) and water molecules ...

It is demonstrated that the introduction of p-tert-butyl groups dramatically influences the conformational behaviour of the mercaptothiacalix[4] arene molecules. Quantum-chemical computations in combination with IR and NMR ...