Unraveling the structural and vibrational response of Zharchikhite to pressure (II): Insights from first principles calculations
Author:
Funder
Hashemite University
Publisher
Elsevier BV
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2. Exploring the impact of elevated pressure on the structural dynamics of Zharchikhite (I): A first principles investigation with XRD, IR, and Hirshfeld analysis;Khattari;Materials Today Communications,2024
3. Zharchikhite, AlF(OH)2: a novel structure type related to a-PbO2;Zubkova;Acta Cryst.,2024
4. Quantum-mechanical condensed matter simulations with CRYSTAL;Dovesi;WIREs Comput. Mol. Sci.,2018
5. BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations;Vilela Oliveira;J. Comput. Chem.,2019
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