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Journal of Computational Chemistry|April 29, 2026
Partial Sigma Covalent Bonding in Transition MetalsLam H Nguyen, Thanh N TruongJournal of Computational Chemistry|May 13, 2026
Local Quadrupole Ellipticity as Predictor of Anion-Affinity in NanographenesOmkar Charapale, Sergio Posada-Pérez, Albert Poater, et al.Journal of Computational Chemistry|May 25, 2026
Correction Scheme for Molecular Total Energies From Quantum Phase Estimation Under Limited Qubit ResourcesNobuki Inoue, Hisao NakamuraJournal of Computational Chemistry|May 7, 2026
Entanglement transmitted Through-SpaceDaniel F E Bajac, Augusto M Lezcano Mendez, Gustavo A AucarJournal of Computational Chemistry|May 6, 2026
Ca2B18-A Bicapped Double-Ring Boron Tube Retaining a Toroidal B18 Cluster TemplatePeter L Rodríguez-Kessler, Alvaro Muñoz-CastroJournal of Computational Chemistry|July 31, 2026
Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM AnalysisJuda Baikété, Celestin Godwe Tcheombe, Alhadji Malloum, et al.Journal of Computational Chemistry|July 29, 2026
Fast and Accurate GPU-Accelerated Computation of Two-Electron Four-Center Coulomb Repulsion IntegralsAvleen Kaur, William Chen, Gautam Kirshan Luhana, et al.Journal of Computational Chemistry|July 23, 2026
Reexamining Al2H2: Evidence That the Unidentified Butterfly Ground-State Isomer Was Previously ObservedElizabeth C Toth, Ethan J Poncelet, Andy Jiang, et al.Journal of Computational Chemistry|July 15, 2026
Can Cavity Prediction Algorithms Help in Docking Experiments?Diana A Kondinskaia, Bojana PopovicJournal of Computational Chemistry|May 15, 2021
Evolution of the linker in microhydrated hydrogen dinitrate anions: From H+ to H5 O2Shaojun Gui, Ling Jiang, Zhi-Feng LiuPageof 598