Structural transition of NaBH4 under high pressure: Ab initio calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference28 articles.
1. Experimental and computational studies on structural transitions in the LiBH4–LiI pseudobinary system
2. Ab initio molecular dynamics study of the hydrogen-deuterium exchange in bulk lithiumborohydride (LiBH4)
3. Inelastic neutron scattering spectra of NaBH4 and KBH4: reproduction of anion mode shifts via periodic DFT
4. Theoretical calculation of the energy of formation of LiBH4
5. High-pressure phase transition in LiBH4
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2. Pressure-induced the formation of Mg(CH3)2 and Ca(CH3)2 studied by the first principles;Solid State Communications;2020-10
3. Mechanistic and kinetic insights of reduction of indophenol by sodium borohydride: A theoretical study to explore the effect of solvent and counter ion;Chemical Physics;2018-03
4. Synthesis and crystal structure of alkali metal borohydrides LiBH4, NaBH4, KBH4, RbBH4 and CsBH4;Hydrogen Storage Materials;2018
5. The phase transitions and electronic structures of crystalline BeF2 under high-pressure: First-principle calculations;Solid State Communications;2013-09
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