International Journal of Quantum Chemistry – Page 15 – School of Chemistry

International Journal of Quantum Chemistry

Exploring the potential of fluoro‐flavonoid derivatives as anti‐lung cancer agents: DFT, molecular docking, and molecular dynamics techniques

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By , 1 yearNovember 11, 2023 ago

International Journal of Quantum Chemistry

Issue Information

International Journal of Quantum Chemistry, Volume 123, Issue 24, December 15, 2023.

By Wiley: International Journal of Quantum Chemistry: Table of Contents, 1 year ago

International Journal of Quantum Chemistry

Computational prediction of the properties of bis(ethynylthienyl)dialcoxynaphthalene‐based conjugated polymers for organic solar cell applications

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By nMaría B. Camarada, nFelipe A. Angel, nIgnacio A. Jessopn, 1 yearNovember 9, 2023 ago

International Journal of Quantum Chemistry

Analyzing the contribution of material science in quantum cryptography: A scientometric study

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By nPriya Sharma, nVrinda Gupta, nSandeep K. Soodn, 1 yearNovember 8, 2023 ago

International Journal of Quantum Chemistry

Theoretical occurrence of quantized chemistry of conduction mechanism in layered perovskite for the application of Resistive Random Access Memory devices

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By , 1 yearNovember 7, 2023 ago

International Journal of Quantum Chemistry

Microscopic quantum mechanical Marcus theory for chemical reactions and its relationship to the Butler‐Volmer equation used in redox flow battery analysis

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By nClifford M. Krownen, 1 yearNovember 6, 2023 ago

International Journal of Quantum Chemistry

Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By nFrançois Mairesse, nBenoît Champagnen, 1 yearNovember 6, 2023 ago

International Journal of Quantum Chemistry

Distance based molecular characterization and QSPR modeling of properties of triazine based dendrimer

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By nD. Antony Xavier, nTheertha Nair A, nEddith Sarah Varghese, nAnnmaria Babyn, 1 yearNovember 3, 2023 ago

International Journal of Quantum Chemistry

A theory study based on DFT/TD‐DFT for a series of Ir(III) complexes with the low‐efficiency roll‐off and the high‐inter‐system crossover rate properties

International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.

By , 1 yearNovember 3, 2023 ago

International Journal of Quantum Chemistry

Laudatio for Ivan Černušák

International Journal of Quantum Chemistry, Volume 123, Issue 24, December 15, 2023.

By nFlorent Louis, nMiroslav Urban, nAlexander Boldyrevn, 1 yearNovember 2, 2023 ago