International Journal of Quantum Chemistry

Papers
(The H4-Index of International Journal of Quantum Chemistry is 21. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-02-01 to 2025-02-01.)
ArticleCitations
On reactivity of superatom Be8C with nucleophiles to produce hydrogen56
53
Density functional theory calculations on the adsorption and degradation characteristics of ronidazole on the TiO2 surface52
47
Algebraic and complexity‐like properties of Jacobi polynomials: Degree and parameter asymptotics44
42
Computing and comparative analysis of topological invariants of Y‐junction carbon nanotubes42
Issue Information41
40
34
Issue Information30
Theoretical study on the reaction mechanism of a new XLPE insulation material without cross‐linking byproducts: An alternative to peroxide cross‐linking30
Investigation of the Structural, Mechanical, Thermal, and Magneto‐Electronic Properties of Promising Ferrite Spinel Oxides XFe2O4 (X = Ge and Sm): A First‐Principle Ap29
First principle studies on structural, electronic, elastic, optical, and thermoelectric properties of XGeCl3 (X = Rb/Cs): Promising compounds for green energy applicat28
Pharmacoinformatics and quantum chemicals‐based analysis of aromatic molecule decanal as a potent drug against breast cancer27
Computational Investigation of the Ru‐Mediated Preparation of Benzothiazoles From N‐Arylthioureas: Elucidation of the Reaction Mechanism and the Origin of Differing Substrate Reactivity27
Insights Into Guanine Radical Cation Deprotonation Using the Quantum Mechanics and Quantum Mechanics/Molecular Mechanics (ABEEM) Methods26
Computational Study on SnS2 as Anode Material for Magnesium Ion Battery26
22
A quantum chemical prediction on arc interruption capability of dielectric gases22
Linear and second‐order nonlinear optical properties of non‐fullerene acceptor derivatives with A–D–A structure22
Controllable fast light in quantum dot molecules assisted hybrid optomechanical system21
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