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 2021-08-01 to 2025-08-01.)

Article	Citations
	2198
Issue Information	161
	101
Issue Information	92
Issue Information	82
	73
	69
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches	61
Another look at energetically quasi‐degenerate structures of the gold cluster Au₂₇^q with q = 1, 0, −1	53
A fast approximate extension of the interacting quantum atoms energy decomposition to excited states	51
A density fitting scheme for the fast evaluation of molecular electrostatic potential	48
Producing chemically accurate atomic Gaussian process regression models by active learning for molecular simulation	47
Improving the reliability of machine learned potentials for modeling inhomogeneous liquids	44
Feshbach resonances in D + HD(v = 1, j = 0) reaction at low collision energies	42
Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing	40
Front Cover	38
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns	37
Molecular dynamics of liquid–electrode interface by integrating Coulomb interaction into universal neural network potential	35
Cover Image	34
Ab initiostudies of counterion effects in molecular quantum‐dot cellular automata	26
Chemical bonding in Uranium‐based materials: A local vibrational mode case study of Cs 2UO 2Cl 4 and UCl 4 crystals	25
Alanine boronic acid functionalized UiO‐66 MOF as a nanoreactor for the conversion of CO₂ into formic acid	25
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry	25
Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions	24