International Journal of Quantum Chemistry
Chemical applicability and curvilinear regression models of vertex‐degree‐based topological index: Elliptic Sombor index
International Journal of Quantum Chemistry, Volume 124, Issue 9, May 5, 2024.
International Journal of Quantum Chemistry
Exploring structural, optoelectronic, and thermoelectric properties of SrCaGe and SrCaSn half Heusler compounds
International Journal of Quantum Chemistry, Volume 124, Issue 9, May 5, 2024.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 124, Issue 9, May 5, 2024.
International Journal of Quantum Chemistry
Extended improved multiparameter exponential‐type potential energy function for diatomic molecules
International Journal of Quantum Chemistry, Volume 124, Issue 8, April 15, 2024.
International Journal of Quantum Chemistry
A DFT calculation of electronic structures, magnetic, and thermoelectric properties of the new equiatomic quaternary Heusler alloy RuTiCrSi
International Journal of Quantum Chemistry, Volume 124, Issue 8, April 15, 2024.
International Journal of Quantum Chemistry
The g‐ZnO/Hf2CO2 vdW heterostructure: A novel two‐dimensional material for sunlight‐driven photocatalytic water splitting
International Journal of Quantum Chemistry, Volume 124, Issue 8, April 15, 2024.
International Journal of Quantum Chemistry
Theoretical designs of ORR/OER single‐atom catalysts TM@Ti2CT2 (T = O, S, Cl)
International Journal of Quantum Chemistry, Volume 124, Issue 8, April 15, 2024.
International Journal of Quantum Chemistry
DFT study of the half‐metallic variant perovskites A2OsX6 (A = Rb/Cs; X = Cl/Br) for spintronic and thermoelectric applications
International Journal of Quantum Chemistry, Volume 124, Issue 8, April 15, 2024.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 124, Issue 8, April 15, 2024.
International Journal of Quantum Chemistry
Towards universal substituent constants: Parameterizing bond critical point properties with electronegativity descriptors
International Journal of Quantum Chemistry, Volume 124, Issue 7, April 5, 2024.