Электронная библиотека (репозиторий) Томского государственного университета
кристаллическая структура | Atuchin, Victor V. | 2022

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Add   Chemical bonding effects and physical properties of noncentrosymmetric hexagonal fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd)
Authors: Zhuravlev, Yuri N. | Atuchin, Victor V.
Source: Molecules. 2022. Vol. 27, № 20. P. 6840 (1-26)
Type: статьи в журналах
Date: 2022
Description: The present work applied the methods of density functional theory and the van der Waals interaction PBE + D3(BJ) on the basis of localized orbitals of the CRYSTAL17 package. It featured the effect of ... More
Add   Exploration of the crystal structure and thermal and spectroscopic properties of monoclinic praseodymium sulfate Pr2(SO4)3
Authors: Denisenko, Yuriy G. | Atuchin, Victor V. | Molokeev, Maxim S. | Sedykh, Alexander E. | Khritokhin, Nikolay A. | Aleksandrovsky, Aleksandr S. | Oreshonkov, Aleksandr S. | Shestakov, Nikolai P. | Adichtchev, Sergey V. | Pugachev, Alexey M. | Salnikova, Elena I. | Andreev, Oleg V. | Razumkova, Illaria A. | Müller-Buschbaum, Klaus
Source: Molecules. 2022. Vol. 27, № 13. P. 3966 (1-23)
Type: статьи в журналах
Date: 2022
Description: Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr2(SO4)3 is crystallized in the monoclinic structure, space group C2/c, wi ... More
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