International Journal of Quantum Chemistry
Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab‐initio methods
International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.
International Journal of Quantum Chemistry
Thermoelectric properties of two‐dimensional ternary transition metal nitrides HfNF
International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.
International Journal of Quantum Chemistry
Density functional study on highly energetic organic azides with empirical formula Cn(N3)m
International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.
International Journal of Quantum Chemistry
Comparative study of GQ and QG indices as potentially favorable molecular descriptors
International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.
International Journal of Quantum Chemistry
From the single‐structure to the multipath approaches: The reactions of the 2‐pentanone with H radical
International Journal of Quantum Chemistry, Volume 124, Issue 2, January 15, 2024.
International Journal of Quantum Chemistry
Adsorption ability of Ga5N10 nanomaterial for removing metal ions contamination from drinking water by DFT
International Journal of Quantum Chemistry, Volume 124, Issue 2, January 15, 2024.
International Journal of Quantum Chemistry
Origin of semiconductor and half‐metallic behaviors in the perovskite materials RbXF3 (X = Co, Mn, Fe or V): A GGA + U approach
International Journal of Quantum Chemistry, Volume 124, Issue 2, January 15, 2024.
International Journal of Quantum Chemistry
Modulating opto‐electronic and magnetic responses of Mo‐ and Zn‐adsorbed LiNbO3 (1 1 1) surface for advanced energy harvesting applications: A comprehensive study
International Journal of Quantum Chemistry, Volume 124, Issue 2, January 15, 2024.
International Journal of Quantum Chemistry
Geometric approach to vertex‐degree‐based topological indices–Elliptic Sombor index, theory and application
International Journal of Quantum Chemistry, Volume 124, Issue 2, January 15, 2024.