International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Comparative ONIOM modeling of 1,3‐butadiene polymerization using Nd(III) and Gd(III) Ziegler–Natta catalyst systems
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Structural, elastic, mechanical, electronic, and magnetic properties of In2NbX6 (X = Cl, Br) variant perovskites
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Topological descriptors, entropy measures and NMR spectral predictions for nanoporous graphenes with [14]annulene pores
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Lowest electronic states of neutral and ionic LiN
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Tuning the hydrogen storage capacity of MOF‐650 by Mg2+/Ca2+ substitution and B, N co‐doped atoms: Grand canonical Monte Carlo simulation and periodic density functional theory
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Eigensolutions, virial theorem and molecular study of nonrelativistic Krazer‐Fues potential
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Modulating the thermoelectric transport properties of the novel material Er2Te3 via strain
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
Temperature effects, energy shifts, and band entropies of Si semiconductors
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.
International Journal of Quantum Chemistry
How to obtain accurate results with molecular iodine and density functional theory?
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.