Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations

Aydar Rakhmatullin, Ilya B. Polovov, Dmitry Maltsev, Mathieu Allix, Vladimir Volkovich, Andrey V. Chukin, Miroslav Boča, Catherine Bessada

Research output: Contribution to journalArticleResearchpeer-review

4 Citations (Scopus)
Original languageEnglish
Pages (from-to)1184-1195
Number of pages12
JournalInorganic Chemistry
Volume57
Issue number3
DOIs
Publication statusPublished - 5 Feb 2018

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Chemical shift
Alkalies
X ray powder diffraction
Density functional theory
alkalies
Nuclear magnetic resonance
density functional theory
solid state
chemical equilibrium
nuclear magnetic resonance
Scandium
diffraction
Rietveld refinement
x rays
Fluorine
Computational methods
Shielding
Nuclear magnetic resonance spectroscopy
scandium
Boundary conditions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

WoS ResearchAreas Categories

  • Chemistry, Inorganic & Nuclear

Cite this

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title = "Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations",
author = "Aydar Rakhmatullin and Polovov, {Ilya B.} and Dmitry Maltsev and Mathieu Allix and Vladimir Volkovich and Chukin, {Andrey V.} and Miroslav Boča and Catherine Bessada",
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T1 - Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations

AU - Rakhmatullin, Aydar

AU - Polovov, Ilya B.

AU - Maltsev, Dmitry

AU - Allix, Mathieu

AU - Volkovich, Vladimir

AU - Chukin, Andrey V.

AU - Boča, Miroslav

AU - Bessada, Catherine

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DO - 10.1021/acs.inorgchem.7b02617

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EP - 1195

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

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ER -