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1. A first-principles investigations of Lead-free SbPCa3 inverse perovskite for structural, electronic and optical properties with different DFT methods
2. Exploration of hydrides XSrH3(X=Cs,Fr) for hydrogen storage applications: A first principles study
3. First principles investigations of Lithium based hydrides LiXH 3(X=Al, Ga, In) for hydrogen storage applications
4. The use of nonlocal corrections and SCAN to compute the electronic, optical and thermoelectric properties of XCuF3(X = K, Rb)
5. ab-initio insights of BeXH3(X=In,Sn,Sb) hydrides for structural, phonon, electronic, thermodynamic and hydrogen storage properties
6. Comprehensive density functional theory analysis of structural, elastic, electronic, optical, thermodynamic, thermoelectric and hydrogen storage properties of CaXH3 (X = Na, Al, Y)
7. Comprehensive study of Cesium-Tantalum Oxide for electronic, optical and thermoelectric properties under the effect of pressure for energy applications
8. Investigations for hydrogen storage applications of XPtH3 (X = Cs, Fr) hydrides: A first principles study
9. Pressure-dependent physical properties of cesium-niobium oxide: a comprehensive study
10. Revealing the improved elasto-mechanical, opto-electronic, thermodynamic and thermoelectric properties of double perovskites Rb2TlAF6(A = Ir, Rh): A DFT analysis
11. Structural, Elastic, Mechanical, Electronic and Optical Properties of TlSnX3(X=Cl,Br,I) for Sustainable Energy Applications
12. First principles study to investigate physical properties of MgXH3(X=Cr,Cu) hydrides for hydrogen storage applications
13. First-principles study on structural, elasto-mechanical, electronic, thermodynamic and hydrogen storage properties of XGeH3 (X=K, Rb) hydrides
14. First principles investigations on physical properties and phonon-mediated superconductivity in CsTaC
15. First-Principles Insights on Different Physical Properties of MoFe2O4 Ferrites for Magnetic and Energy Applications
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