{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:7QSJJOORZEWFFHIRLRRXL4FL5O","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":"0bb2cdcbaf8291b2b84891ca5f66f2d135bdd80b2bec68c029f50449b14269f0","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-11-09T09:47:57Z","title_canon_sha256":"ef954daadadc4adafc7bc0048062b518d857b4885396c76f81f46762e668d137"},"schema_version":"1.0","source":{"id":"1811.03834","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1811.03834","created_at":"2026-05-18T00:01:11Z"},{"alias_kind":"arxiv_version","alias_value":"1811.03834v1","created_at":"2026-05-18T00:01:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1811.03834","created_at":"2026-05-18T00:01:11Z"},{"alias_kind":"pith_short_12","alias_value":"7QSJJOORZEWF","created_at":"2026-05-18T12:32:11Z"},{"alias_kind":"pith_short_16","alias_value":"7QSJJOORZEWFFHIR","created_at":"2026-05-18T12:32:11Z"},{"alias_kind":"pith_short_8","alias_value":"7QSJJOOR","created_at":"2026-05-18T12:32:11Z"}],"graph_snapshots":[{"event_id":"sha256:bffc782d36c9ad39cf3c67dd9ec5c46a77358a3aa96ce1aa754dbcafde7f5c23","target":"graph","created_at":"2026-05-18T00:01:11Z","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":"The role of vibrational excitation of reactants in driving reactions involving polyatomic species has been often studied by means of classical or quasi-classical trajectory simulations. We propose a different approach based on investigation of vibrational features of the  Cl$^-$--CH$_3$Cl pre-reaction complex for the Cl$^-$ + CH$_3$Cl SN$_2$ reaction. We present vibrational power spectra and frequency estimates for the title pre-reaction complex calculated at the level of classical, semiclassical, and second-order vibrational perturbation theory on a pre-existing analytical potential energy su","authors_text":"G. Di Liberto, M. Ceotto, R. Conte, W. L. Hase, X. Ma","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-11-09T09:47:57Z","title":"A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl$^-$--CH$_3$Cl pre-reaction complex with the VENUS suite of codes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1811.03834","kind":"arxiv","version":1},"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:bca54f5643d27951a296035c01aeeaba562f94e19d55698b3591846fe13b617a","target":"record","created_at":"2026-05-18T00:01:11Z","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":"0bb2cdcbaf8291b2b84891ca5f66f2d135bdd80b2bec68c029f50449b14269f0","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-11-09T09:47:57Z","title_canon_sha256":"ef954daadadc4adafc7bc0048062b518d857b4885396c76f81f46762e668d137"},"schema_version":"1.0","source":{"id":"1811.03834","kind":"arxiv","version":1}},"canonical_sha256":"fc2494b9d1c92c529d115c6375f0abeb8a925f07c4c2e278cde76f138187832d","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"fc2494b9d1c92c529d115c6375f0abeb8a925f07c4c2e278cde76f138187832d","first_computed_at":"2026-05-18T00:01:11.864045Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:01:11.864045Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"KNcdEuGFJq/FZUIVVa4w9BYJXmt6rYMYKmkZ0gsQa3XoLvnn5qq8vxtHuNz0y1lS0U7E7GDbeDYOSSUYoXv5CQ==","signature_status":"signed_v1","signed_at":"2026-05-18T00:01:11.864517Z","signed_message":"canonical_sha256_bytes"},"source_id":"1811.03834","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:bca54f5643d27951a296035c01aeeaba562f94e19d55698b3591846fe13b617a","sha256:bffc782d36c9ad39cf3c67dd9ec5c46a77358a3aa96ce1aa754dbcafde7f5c23"],"state_sha256":"96985a65966a5b75d386cb2d9278b77804f4f627f9c594313545669fa86a00ed"}