OOIR: Observatory of International Research

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 2022-05-01 to 2026-05-01.)

Article	Citations
	65
Comparative ONIOM modeling of 1,3‐butadiene polymerization using Nd(III) and Gd(III) Ziegler–Natta catalyst systems	58
Effect of BN substitution on structure, reactivity and spectroscopic properties of polyarylenevinylene systems: A computational insight	53
Evaluation of the electronic density at critical points of hydrogen bonds: PM7 a good alternative to ab‐initio methods	46
Insight Into Selective Binding Mechanism of BRD4 to Inhibitors 21r, Lpd22, and XY221 Through Molec	45
Diatomic Metal–Organic Framework Cathode Catalysts for Efficient Oxygen Electrocatalysis	43
The weakly bound states in Gaussian wells: From the binding energy of deuteron to the electronic structure of quantum dots	41
Deciphering the Influence of Alkylene Bridged and Chelating Mode on Pd—C and Pd—X (X = Cl, Br, and I) Bonding Interaction Within Bis‐(NHC)‐Palladium Complexes Using Quantum Chemistry Tools	38
Issue Information	34
Investigation of parameters affecting the high harmonic generation from monolayer WS₂	33
Density functional theory study on interatomic forces and electronic properties of Co_nMoP(n = 1 ~ 5) cluster	31
Issue Information	30
Resistance Distance and Kirchhoff Index of Cayley Graphs on Generalized Quaternion Groups	30
Ultra‐compact accurate wave functions for He‐like and Li‐like iso‐electronic sequences and variational calculus: III. Spin‐quartet state (1s2s3s)	27
Thermal isomerization of phenylazoindoles: Inversion or rotation? That is the question	27
Computational Investigation of the Ru‐Mediated Preparation of Benzothiazoles From N‐Arylthioureas: Elucidation of the Reaction Mechanism and the Origin of Differing Substrate Reactivity	27
The minimal chemical tree for the difference between geometric–arithmetic and Randić indices	26
The Dynamical Studies for the S ⁺ + HD Reaction Us	26
Evaluating Degree‐Based Topological Indices in QSPR Modeling of Anticancer Drugs Using Linear and Multilinear Regression	26
Gaussian basis functions for an orbital‐free‐related density functional theory of atoms	22
Li‐decorated black phosphorene: A promising platform for gas molecule adsorption	21
Synthesis, Characterization, DFT Analysis, and Antimicrobial Evaluation of Thiazolo[4,5‐d]Pyrimidine and Thiazolo[4,5‐b]Pyridine Derivatives	21