International Journal of Quantum Chemistry – Page 11 – School of Chemistry

International Journal of Quantum Chemistry

Tailoring the donor moieties in TPA‐based organic dyes for efficient photovoltaic, optical and nonlinear optical response properties

International Journal of Quantum Chemistry, Volume 124, Issue 7, April 5, 2024.

By , 8 months ago

International Journal of Quantum Chemistry

Issue Information

International Journal of Quantum Chemistry, Volume 124, Issue 7, April 5, 2024.

By Wiley: International Journal of Quantum Chemistry: Table of Contents, 8 months ago

International Journal of Quantum Chemistry

A theoretical study of the electronic properties of hydrogenated spherical‐like SiC quantum dots with C‐rich and Si‐rich compositions

International Journal of Quantum Chemistry, Volume 124, Issue 6, March 15, 2024.

By , 8 months ago

International Journal of Quantum Chemistry

Issue Information

International Journal of Quantum Chemistry, Volume 124, Issue 6, March 15, 2024.

By Wiley: International Journal of Quantum Chemistry: Table of Contents, 8 months ago

International Journal of Quantum Chemistry

Issue Information

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

By Wiley: International Journal of Quantum Chemistry: Table of Contents, 9 months ago

International Journal of Quantum Chemistry

Benzo‐bisimidazole based nanosheets having porphyrin like internal core with high second order nonlinear optical response: A theoretical perspective

International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.

By nRajneesh Kumar, nAjeet Singhn, 10 months ago

International Journal of Quantum Chemistry

The interface effect on the lithiation of silicon/graphene composites: The first principles study

International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.

By nM. Wang, nC. X. Yang, nX. Y. Leng, nY. Chen, nS. B. Yang, nW. Li, nW. Hong, nY. Xun, 10 months ago

International Journal of Quantum Chemistry

Structural, electronic, and optical properties of Cd‐halide‐based inorganic LiCdX3 (X = F, Cl) perovskites for photovoltaic applications: A density functional theory study

International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.

By , 10 months ago

International Journal of Quantum Chemistry

Insights into the binding mechanism of 2,5‐substituted 4‐pyrone derivatives as therapeutic agents for fused dimeric interactions: A computational study using QTAIM, dynamics and docking simulations of protein–ligand complexes

International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.

By , 10 months ago

International Journal of Quantum Chemistry

Magnetic and thermoelectric properties of REMoN3 (RE = La, Ce, Pr, Nd, and Sm): A first‐principles study

International Journal of Quantum Chemistry, Volume 124, Issue 3, February 5, 2024.

By , 10 months ago