Publications by authors named "Frantisek Simko"

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The Role of Dynamic Polyhedral Rotations in the Phase Transitions of RbAlF and CsAlF.
Graham King, Aydar Rakhmatullin, František Šimko

Inorg Chem· July 2025

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Cesium Oxo-fluoro-aluminates in the CsF-AlO System: Synthesis and Structural Characterization.
František Šimko, Aydar Rakhmatullin, Graham King, Mathieu Allix, Catherine Bessada

Inorg Chem· September 2023

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Polymorphs of RbScF: X-ray and Neutron Diffraction, Solid-State NMR, and Density Functional Theory Calculations Study.
Aydar Rakhmatullin, Maxim S Molokeev, Graham King, Ilya B Polovov, Konstantin V Maksimtsev

Inorg Chem· April 2021

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X-ray Diffraction, NMR Studies, and DFT Calculations of the Room and High Temperature Structures of Rubidium Cryolite, RbAlF.
Aydar Rakhmatullin, František Šimko, Emmanuel Véron, Mathieu Allix, Charlotte Martineau-Corcos

Inorg Chem· May 2020

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Oxo- and Oxofluoroaluminates in the RbF-AlO System: Synthesis and Structural Characterization.
František Šimko, Aydar Rakhmatullin, Emmanuel Véron, Mathieu Allix, Pierre Florian

Inorg Chem· November 2018

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Effect of alkaline metal cations on the ionic structure of cryolite melts: Ab-initio NpT MD study.
Tomáš Bučko, František Šimko

J Chem Phys· February 2018

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(Oxo)(Fluoro)-Aluminates in KF-AlO System: Thermal Stability and Structural Correlation.
František Šimko, Aydar Rakhmatullin, Pierre Florian, Martin Kontrík, Michal Korenko

Inorg Chem· November 2017

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On the structure of crystalline and molten cryolite: Insights from the ab initio molecular dynamics in NpT ensemble.
Tomáš Bučko, František Šimko

J Chem Phys· February 2016

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