{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:TCZCXIMGA4TXLKWUL5J5COICDQ","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"07e59a254251a9188d1c3577c42b9681ef61085cceee6603ba637db51bb3ecf8","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-12T19:01:08Z","title_canon_sha256":"3d7d8f6113f647d24c7a76d52681f2a224fc80436e5efe935c6bde9d635dbc3a"},"schema_version":"1.0","source":{"id":"1810.05681","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1810.05681","created_at":"2026-05-17T23:54:53Z"},{"alias_kind":"arxiv_version","alias_value":"1810.05681v2","created_at":"2026-05-17T23:54:53Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1810.05681","created_at":"2026-05-17T23:54:53Z"},{"alias_kind":"pith_short_12","alias_value":"TCZCXIMGA4TX","created_at":"2026-05-18T12:32:53Z"},{"alias_kind":"pith_short_16","alias_value":"TCZCXIMGA4TXLKWU","created_at":"2026-05-18T12:32:53Z"},{"alias_kind":"pith_short_8","alias_value":"TCZCXIMG","created_at":"2026-05-18T12:32:53Z"}],"graph_snapshots":[{"event_id":"sha256:f5ecf638ce2f3eab7f0210291e6857b8293296ea3ff5275c20090becf7ef8b56","target":"graph","created_at":"2026-05-17T23:54:53Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule: A complex paradigmatic system where the making and breaking of H-bonds in a highly anharmonic potential energy surface requires a quantum mechanical treatment not only of the electrons, but also of the nuclei. We combine density-functional theory calculations, employing hybrid functionals and van der Waals corrections, with recently proposed and optimized path-integral ring-polymer methods for the approximation of quantum vibrational spectra and reaction rates. Our full-dimensional ring-polymer instanton simulat","authors_text":"Jeremy O. Richardson, Mariana Rossi, Takashi Kumagai, Yair Litman","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-12T19:01:08Z","title":"Elucidating the NuclearQuantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1810.05681","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:91a505506cc026758fc516315fe23367cf117aed584869611d9356f29b447894","target":"record","created_at":"2026-05-17T23:54:53Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"07e59a254251a9188d1c3577c42b9681ef61085cceee6603ba637db51bb3ecf8","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-12T19:01:08Z","title_canon_sha256":"3d7d8f6113f647d24c7a76d52681f2a224fc80436e5efe935c6bde9d635dbc3a"},"schema_version":"1.0","source":{"id":"1810.05681","kind":"arxiv","version":2}},"canonical_sha256":"98b22ba186072775aad45f53d139021c0d42e0b8dbf961325776f9d144f9e708","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"98b22ba186072775aad45f53d139021c0d42e0b8dbf961325776f9d144f9e708","first_computed_at":"2026-05-17T23:54:53.601371Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-17T23:54:53.601371Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"qazza8P+msvrw9w2E7AcfzrdLCksX5buFGAaAy7QmVXj7x+O/ju/XtMNdF04UPQYExREjirw/HYQ9XHSP3e6Aw==","signature_status":"signed_v1","signed_at":"2026-05-17T23:54:53.601874Z","signed_message":"canonical_sha256_bytes"},"source_id":"1810.05681","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:91a505506cc026758fc516315fe23367cf117aed584869611d9356f29b447894","sha256:f5ecf638ce2f3eab7f0210291e6857b8293296ea3ff5275c20090becf7ef8b56"],"state_sha256":"1a1048a848e4e735f25382fb95f5ea70a1bde0fb7f4a22fa6f4dd6d073d9ddb8"}