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 2022-06-01 to 2026-06-01.)

Article	Citations
	402
	156
	108
Issue Information	81
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches	78
	70
K ₄ Carbon Modifications by Modulating Phonon Eigenvectors	62
FFLUX molecular simulations driven by atomic Gaussian process regression models	58
Front Cover	57
Improving the reliability of machine learned potentials for modeling inhomogeneous liquids	55
Energy and Real Space Characteristics of Non‐Covalent Interactions Across the Periodic Table	46
Front Cover	38
Quantification of Lewis Acidity and Lewis Basicity: A Density‐Based Reactivity Theory Study	35
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns	33
Ab initiostudies of counterion effects in molecular quantum‐dot cellular automata	33
Alanine boronic acid functionalized UiO‐66 MOF as a nanoreactor for the conversion of CO₂ into formic acid	32
REG – CCSD (T): A New Efficient CCSD (T) Approach Accelerated by th	32
Accurate and Cost‐Efficient DLPNO‐CCSD(T)‐Based Feller‐Peterson‐Dixon Protocols Calibrated on Association Reactions of Li⁺ Ion With Mixed Organic Carbonates	31
Molecular dynamics of liquid–electrode interface by integrating Coulomb interaction into universal neural network potential	30
Chemical bonding in Uranium‐based materials: A local vibrational mode case study of Cs 2UO 2Cl 4 and UCl 4 crystals	29
A Thorough Systematic Conformational Study of an Experimentally Known Lantern‐Like Superphane	29
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry	28
Microcanonical Rate Constants With Rice–Ramsperger–Kassel–Marcus in Eyringpy	28
Producing chemically accurate atomic Gaussian process regression models by active learning for molecular simulation	24
A density fitting scheme for the fast evaluation of molecular electrostatic potential	24

Ca ₂ B ₁₈ —A Bicapped Double‐Ring Bor