OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Computational Chemistry is 24. 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 2022-01-01 to 2026-01-01.)

Article	Citations
Issue Information	2781
	279
	128
	109
Issue Information	100
	69
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches	69
Accurate and Cost‐Efficient DLPNO‐CCSD(T)‐Based Feller‐Peterson‐Dixon Protocols Calibrated on Association Reactions of Li⁺ Ion With Mixed Organic Carbonates	61
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry	58
Molecular dynamics of liquid–electrode interface by integrating Coulomb interaction into universal neural network potential	53
A fast approximate extension of the interacting quantum atoms energy decomposition to excited states	48
Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions	47
Quantification of Lewis Acidity and Lewis Basicity: A Density‐Based Reactivity Theory Study	46
Front Cover	34
Ab initiostudies of counterion effects in molecular quantum‐dot cellular automata	30
Alanine boronic acid functionalized UiO‐66 MOF as a nanoreactor for the conversion of CO₂ into formic acid	30
Improving the reliability of machine learned potentials for modeling inhomogeneous liquids	29
Revisiting the “Cluster‐In‐Solvent” Approach for Computational Spectroscopy: The Vibrational Circular Dichroism as a Test Case	28
Front Cover	28
Predicting Ti‐49 NMR Chemical Shift With New NMR ‐ DKH	28
Groupy: An Open‐Source Toolkit for Molecular Simulation and Property Calculation	28
K ₄ Carbon Modifications by Modulating Phonon Eigenvectors	28
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns	27
Microcanonical Rate Constants With Rice–Ramsperger–Kassel–Marcus in Eyringpy	26