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 2021-09-01 to 2025-09-01.)

Article	Citations
	2315
Issue Information	178
	104
Issue Information	94
Issue Information	84
	81
	63
A fast approximate extension of the interacting quantum atoms energy decomposition to excited states	53
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches	53
Improving the reliability of machine learned potentials for modeling inhomogeneous liquids	50
Feshbach resonances in D + HD(v = 1, j = 0) reaction at low collision energies	48
Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing	44
Front Cover	43
Molecular dynamics of liquid–electrode interface by integrating Coulomb interaction into universal neural network potential	41
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns	41
FFLUX molecular simulations driven by atomic Gaussian process regression models	41
Front Cover	37
Groupy: An Open‐Source Toolkit for Molecular Simulation and Property Calculation	37
Alanine boronic acid functionalized UiO‐66 MOF as a nanoreactor for the conversion of CO₂ into formic acid	27
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry	26
Quantification of Lewis Acidity and Lewis Basicity: A Density‐Based Reactivity Theory Study	26
Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions	26
Ab initiostudies of counterion effects in molecular quantum‐dot cellular automata	24
Ranking the Properties Important for Understanding Noncovalent Bond Strength	24