International Journal of Quantum Chemistry – Page 8 – School of Chemistry

International Journal of Quantum Chemistry

Theory study on catalytic hydrogenation of CO2 to formic acid over Si, N‐doped modified graphene quantum dots supported single atom Fe

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By nFangfang Li, nXunchao Zhang, nLihua Kangn, 5 months ago

International Journal of Quantum Chemistry

Synergistic modulation of SLME and thermal transport toward promising p‐type lead‐free halide semiconductors In2TiX6 (X = Br, I) via first principles analysis

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By , 5 months ago

International Journal of Quantum Chemistry

A density functional theory study of hydrogen storage on Ni and Pd doped hetero GeC nanotubes

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By nH. O. Taha, nA. M. El Mahdy, nM. A. Ramadann, 6 monthsMay 21, 2024 ago

International Journal of Quantum Chemistry

Investigation of the cross sections for electron collision ionization of complex molecules

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By nZhan‐Bin Chenn, 6 monthsMay 21, 2024 ago

International Journal of Quantum Chemistry

Solvent effects on the spectroscopic properties of cannabinoids derivatives: A theoretical study using PCM

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By , 6 monthsMay 21, 2024 ago

International Journal of Quantum Chemistry

Theoretical study on the differences in donor‐acceptor interaction and electron transition mechanism in Pd(II) and Pt(II) complexes

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By nYu Chang, nXiao‐Chun Hang, nCong Zhangn, 6 monthsMay 21, 2024 ago

International Journal of Quantum Chemistry

QSPR analysis for physiochemical properties of new potential antimalarial compounds involving topological indices

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By , 6 monthsMay 21, 2024 ago

International Journal of Quantum Chemistry

An overview about neural networks potentials in molecular dynamics simulation

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By , 6 monthsMay 21, 2024 ago

International Journal of Quantum Chemistry

Issue Information

International Journal of Quantum Chemistry, Volume 124, Issue 11, June 5, 2024.

By Wiley: International Journal of Quantum Chemistry: Table of Contents, 6 monthsMay 20, 2024 ago

International Journal of Quantum Chemistry

Preparation and photocatalytic properties of Bi2WO6/Ag/ZnO composite nanomaterials

International Journal of Quantum Chemistry, Volume 124, Issue 9, May 5, 2024.

By nChong Tan, nYuhong Yin, nJinlong Zuo, nJunsheng Lin, 6 months ago