{"paper":{"title":"Anomalous quantum and isotope effects in water clusters: Physical phenomenon, model artifact, or bad approximation?","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"physics.atm-clus","authors_text":"Sandra E. Brown, Vladimir A. Mandelshtam","submitted_at":"2014-09-29T19:11:07Z","abstract_excerpt":"Free energy differences $\\Delta F:=F-F_{\\text{prism}}$ are computed for several isomers of water hexamer relative to the \"prism\" isomer using the self-consistent phonons method. %$\\Delta F:=F-F({prism})$ We consider the isotope effect defined by the quantity $\\delta F_{D_2O}:=\\Delta F_{\\rm D_2O}-\\Delta F_{\\rm H_2O}$, and the quantum effect, $\\delta F_{\\hbar=0}:=\\Delta F_{\\hbar=0}-\\Delta F_{\\rm H_2O}$, and evaluate them using different flexible water models. While both $\\delta F_{D_2O}$ and $\\delta F_{\\hbar=0}$ are found to be rather small for all of the potentials, they are especially small fo"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1409.8240","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"}