{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2010:JH7PIDC77HSMY3LEQRBWUHCWBM","short_pith_number":"pith:JH7PIDC7","canonical_record":{"source":{"id":"1004.0130","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2010-04-01T13:40:18Z","cross_cats_sorted":["physics.comp-ph","quant-ph"],"title_canon_sha256":"89551b3b69e7ecb2bd8e8ac2e6037381aaf211744165102fde5a797fe1887f74","abstract_canon_sha256":"5eeda645bbff7c0accdbfe16cb6fb73289761c9e426ed7ee4375c8959b9b2687"},"schema_version":"1.0"},"canonical_sha256":"49fef40c5ff9e4cc6d6484436a1c560b0a498e0b314546b36d342b48602fd53c","source":{"kind":"arxiv","id":"1004.0130","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1004.0130","created_at":"2026-05-18T03:52:12Z"},{"alias_kind":"arxiv_version","alias_value":"1004.0130v1","created_at":"2026-05-18T03:52:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1004.0130","created_at":"2026-05-18T03:52:12Z"},{"alias_kind":"pith_short_12","alias_value":"JH7PIDC77HSM","created_at":"2026-05-18T12:26:09Z"},{"alias_kind":"pith_short_16","alias_value":"JH7PIDC77HSMY3LE","created_at":"2026-05-18T12:26:09Z"},{"alias_kind":"pith_short_8","alias_value":"JH7PIDC7","created_at":"2026-05-18T12:26:09Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2010:JH7PIDC77HSMY3LEQRBWUHCWBM","target":"record","payload":{"canonical_record":{"source":{"id":"1004.0130","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2010-04-01T13:40:18Z","cross_cats_sorted":["physics.comp-ph","quant-ph"],"title_canon_sha256":"89551b3b69e7ecb2bd8e8ac2e6037381aaf211744165102fde5a797fe1887f74","abstract_canon_sha256":"5eeda645bbff7c0accdbfe16cb6fb73289761c9e426ed7ee4375c8959b9b2687"},"schema_version":"1.0"},"canonical_sha256":"49fef40c5ff9e4cc6d6484436a1c560b0a498e0b314546b36d342b48602fd53c","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:52:12.664025Z","signature_b64":"yJpzL9cag0QyipVks2TJG4TZzGapBXr0GCYj7OEsW/mBqoaLsiWgELgYD5O7G9Oas6F4f/IrGcH166FM1FGPBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"49fef40c5ff9e4cc6d6484436a1c560b0a498e0b314546b36d342b48602fd53c","last_reissued_at":"2026-05-18T03:52:12.663348Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:52:12.663348Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1004.0130","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T03:52:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"JC0rqjp9I3rbrfj5rbl/ZUlBheI3uUknj2XnB60wsGPvUiqBrA1BoLTqSy8Yr00qdHnRU/no6HUwrVax+zHpDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-23T13:17:19.432765Z"},"content_sha256":"4861217e28070a2d1a2c4bddc071f7a7d3483d24bb9e82cdf1a0412fca42cef1","schema_version":"1.0","event_id":"sha256:4861217e28070a2d1a2c4bddc071f7a7d3483d24bb9e82cdf1a0412fca42cef1"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2010:JH7PIDC77HSMY3LEQRBWUHCWBM","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph","quant-ph"],"primary_cat":"physics.chem-ph","authors_text":"Jiri Vanicek, Tomas Zimmermann","submitted_at":"2010-04-01T13:40:18Z","abstract_excerpt":"Recent experiments have confirmed the importance of nuclear quantum effects even in large biomolecules at physiological temperature. Here we describe how the path integral formalism can be used to describe rigorously the nuclear quantum effects on equilibrium and kinetic properties of molecules. Specifically, we explain how path integrals can be employed to evaluate the equilibrium (EIE) and kinetic (KIE) isotope effects, and the temperature dependence of the rate constant. The methodology is applied to the [1,5] sigmatropic hydrogen shift in pentadiene. Both the KIE and the temperature depend"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1004.0130","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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T03:52:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"hCwBSEqG/2PqJQjY7Q84dcBUe6+53+iNXXTJDLF2DnZjzN0WhB2tLaTKV4ePQRASi/ysAzaEk1TU+Tt1xqOgCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-23T13:17:19.433376Z"},"content_sha256":"b3f55d2aaa78dee12c8460f33431202d727800484ab52d7fb7136fdba5a10833","schema_version":"1.0","event_id":"sha256:b3f55d2aaa78dee12c8460f33431202d727800484ab52d7fb7136fdba5a10833"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/JH7PIDC77HSMY3LEQRBWUHCWBM/bundle.json","state_url":"https://pith.science/pith/JH7PIDC77HSMY3LEQRBWUHCWBM/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/JH7PIDC77HSMY3LEQRBWUHCWBM/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-06-23T13:17:19Z","links":{"resolver":"https://pith.science/pith/JH7PIDC77HSMY3LEQRBWUHCWBM","bundle":"https://pith.science/pith/JH7PIDC77HSMY3LEQRBWUHCWBM/bundle.json","state":"https://pith.science/pith/JH7PIDC77HSMY3LEQRBWUHCWBM/state.json","well_known_bundle":"https://pith.science/.well-known/pith/JH7PIDC77HSMY3LEQRBWUHCWBM/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2010:JH7PIDC77HSMY3LEQRBWUHCWBM","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":"5eeda645bbff7c0accdbfe16cb6fb73289761c9e426ed7ee4375c8959b9b2687","cross_cats_sorted":["physics.comp-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2010-04-01T13:40:18Z","title_canon_sha256":"89551b3b69e7ecb2bd8e8ac2e6037381aaf211744165102fde5a797fe1887f74"},"schema_version":"1.0","source":{"id":"1004.0130","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1004.0130","created_at":"2026-05-18T03:52:12Z"},{"alias_kind":"arxiv_version","alias_value":"1004.0130v1","created_at":"2026-05-18T03:52:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1004.0130","created_at":"2026-05-18T03:52:12Z"},{"alias_kind":"pith_short_12","alias_value":"JH7PIDC77HSM","created_at":"2026-05-18T12:26:09Z"},{"alias_kind":"pith_short_16","alias_value":"JH7PIDC77HSMY3LE","created_at":"2026-05-18T12:26:09Z"},{"alias_kind":"pith_short_8","alias_value":"JH7PIDC7","created_at":"2026-05-18T12:26:09Z"}],"graph_snapshots":[{"event_id":"sha256:b3f55d2aaa78dee12c8460f33431202d727800484ab52d7fb7136fdba5a10833","target":"graph","created_at":"2026-05-18T03:52:12Z","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":"Recent experiments have confirmed the importance of nuclear quantum effects even in large biomolecules at physiological temperature. Here we describe how the path integral formalism can be used to describe rigorously the nuclear quantum effects on equilibrium and kinetic properties of molecules. Specifically, we explain how path integrals can be employed to evaluate the equilibrium (EIE) and kinetic (KIE) isotope effects, and the temperature dependence of the rate constant. The methodology is applied to the [1,5] sigmatropic hydrogen shift in pentadiene. Both the KIE and the temperature depend","authors_text":"Jiri Vanicek, Tomas Zimmermann","cross_cats":["physics.comp-ph","quant-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2010-04-01T13:40:18Z","title":"Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1004.0130","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":"sha256:4861217e28070a2d1a2c4bddc071f7a7d3483d24bb9e82cdf1a0412fca42cef1","target":"record","created_at":"2026-05-18T03:52:12Z","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":"5eeda645bbff7c0accdbfe16cb6fb73289761c9e426ed7ee4375c8959b9b2687","cross_cats_sorted":["physics.comp-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2010-04-01T13:40:18Z","title_canon_sha256":"89551b3b69e7ecb2bd8e8ac2e6037381aaf211744165102fde5a797fe1887f74"},"schema_version":"1.0","source":{"id":"1004.0130","kind":"arxiv","version":1}},"canonical_sha256":"49fef40c5ff9e4cc6d6484436a1c560b0a498e0b314546b36d342b48602fd53c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"49fef40c5ff9e4cc6d6484436a1c560b0a498e0b314546b36d342b48602fd53c","first_computed_at":"2026-05-18T03:52:12.663348Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:52:12.663348Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"yJpzL9cag0QyipVks2TJG4TZzGapBXr0GCYj7OEsW/mBqoaLsiWgELgYD5O7G9Oas6F4f/IrGcH166FM1FGPBg==","signature_status":"signed_v1","signed_at":"2026-05-18T03:52:12.664025Z","signed_message":"canonical_sha256_bytes"},"source_id":"1004.0130","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:4861217e28070a2d1a2c4bddc071f7a7d3483d24bb9e82cdf1a0412fca42cef1","sha256:b3f55d2aaa78dee12c8460f33431202d727800484ab52d7fb7136fdba5a10833"],"state_sha256":"51b56ec0d4b19e4bd2c6eb9d277f4dd42c47c2ac32c78661b643ccfa843f1636"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8JxQWqVwrv9QZ9QMIYuH0KLeDH0H2OD/w+LNmaqfu/crKZPOQdY3lovtl5XA/6kCOmh3eHmuVIcDrE5Ts+ZrCA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-23T13:17:19.436228Z","bundle_sha256":"c34763acd5f7c08da81b29134bed92396593aca1b9fe28b5361e7bfd6c40261f"}}