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 2022-08-01 to 2026-08-01.)

Article	Citations
	179
	112
Issue Information	86
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches	80
	77
K ₄ Carbon Modifications by Modulating Phonon Eigenvectors	61
FFLUX molecular simulations driven by atomic Gaussian process regression models	57
Front Cover	56
Energy and Real Space Characteristics of Non‐Covalent Interactions Across the Periodic Table	55
Front Cover	39
Ab initiostudies of counterion effects in molecular quantum‐dot cellular automata	36
REG – CCSD (T): A New Efficient CCSD (T) Approach Accelerated by th	34
Alanine boronic acid functionalized UiO‐66 MOF as a nanoreactor for the conversion of CO₂ into formic acid	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
Producing chemically accurate atomic Gaussian process regression models by active learning for molecular simulation	30
A Thorough Systematic Conformational Study of an Experimentally Known Lantern‐Like Superphane	30
Predicting Ti‐49 NMR Chemical Shift With New NMR ‐ DKH	30
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry	28
A density fitting scheme for the fast evaluation of molecular electrostatic potential	26
Microcanonical Rate Constants With Rice–Ramsperger–Kassel–Marcus in Eyringpy	25
Groupy: An Open‐Source Toolkit for Molecular Simulation and Property Calculation	25
Ranking the Properties Important for Understanding Noncovalent Bond Strength	24
Revisiting the “Cluster‐In‐Solvent” Approach for Computational Spectroscopy: The Vibrational Circular Dichroism as a Test Case	24
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns	24