{"paper":{"title":"Ab Initio Study of Different Acid Molecules Interacting with H2O","license":"http://creativecommons.org/licenses/publicdomain/","headline":"","cross_cats":["physics.atm-clus","physics.bio-ph","physics.comp-ph","physics.med-ph","physics.space-ph"],"primary_cat":"physics.chem-ph","authors_text":"Aleksey A. Zakharenko, K.S. Kim, S. Karthikyan","submitted_at":"2008-02-05T02:42:25Z","abstract_excerpt":"Using the Gaussian-03 for ab initio calculations, we have studied interaction of different acid molecules with a single water molecule. The molecular and supermolecular optimized structures were found with the Becke-3-Lee-Yang-Parr (B3LYP-hybrid potential) calculations of density-functional theory (DFT) methods as well as the Moeller-Plesset second-order perturbation theory, using the basis set of Aug-cc-pVDZ quality and the CRENBL ECP effective core potential for molecules containing heavy iodine atom. Possible isomers of studied acids and supermolecules, consisting of acid molecules coupled "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"0802.0625","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}