{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2015:ORQO6QC75P4XDH4FEARUWY7H3R","short_pith_number":"pith:ORQO6QC7","canonical_record":{"source":{"id":"1512.09372","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-12-30T18:13:52Z","cross_cats_sorted":[],"title_canon_sha256":"330d7dc77da0865972996cc130b33085df28ff29416bef09de3103ef0ec6b05b","abstract_canon_sha256":"85bc9ecf8450c9ebedb7b7d1bd68b148525b231946f28c761596ab8a9282f294"},"schema_version":"1.0"},"canonical_sha256":"7460ef405febf9719f8520234b63e7dc4327d3c597d8e94d4d0bd706ebd92190","source":{"kind":"arxiv","id":"1512.09372","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1512.09372","created_at":"2026-05-18T01:23:32Z"},{"alias_kind":"arxiv_version","alias_value":"1512.09372v1","created_at":"2026-05-18T01:23:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1512.09372","created_at":"2026-05-18T01:23:32Z"},{"alias_kind":"pith_short_12","alias_value":"ORQO6QC75P4X","created_at":"2026-05-18T12:29:34Z"},{"alias_kind":"pith_short_16","alias_value":"ORQO6QC75P4XDH4F","created_at":"2026-05-18T12:29:34Z"},{"alias_kind":"pith_short_8","alias_value":"ORQO6QC7","created_at":"2026-05-18T12:29:34Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2015:ORQO6QC75P4XDH4FEARUWY7H3R","target":"record","payload":{"canonical_record":{"source":{"id":"1512.09372","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-12-30T18:13:52Z","cross_cats_sorted":[],"title_canon_sha256":"330d7dc77da0865972996cc130b33085df28ff29416bef09de3103ef0ec6b05b","abstract_canon_sha256":"85bc9ecf8450c9ebedb7b7d1bd68b148525b231946f28c761596ab8a9282f294"},"schema_version":"1.0"},"canonical_sha256":"7460ef405febf9719f8520234b63e7dc4327d3c597d8e94d4d0bd706ebd92190","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:23:32.524124Z","signature_b64":"jh/kfYNb9pTorlVUpzXzb+dHWKzmoRWSx50nVhmBZvuB62/TeQPESXVvmz6W8XgA593yEEDCGfn5JnwlI4CLDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7460ef405febf9719f8520234b63e7dc4327d3c597d8e94d4d0bd706ebd92190","last_reissued_at":"2026-05-18T01:23:32.523405Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:23:32.523405Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1512.09372","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":"2026-05-18T01:23:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ky7nL9i27tAxb36jZZ0IoDz8oGrf8SFw+mG3ZxBkqE9hy+ymhC1jqDmCsJP87gqptOoMPLwuNuSwAojurcJwAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-09T09:58:24.351956Z"},"content_sha256":"03c3a34cca419cb54d6f84975d7d0dade57b195b13d40024ddf15b83bfcda774","schema_version":"1.0","event_id":"sha256:03c3a34cca419cb54d6f84975d7d0dade57b195b13d40024ddf15b83bfcda774"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2015:ORQO6QC75P4XDH4FEARUWY7H3R","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Computationally Designed Zirconium Organometallic Catalyst for Direct Epoxidation of Alkenes without Allylic H Atoms: Aromatic Linkage Eliminates Formation of Inert Octahedral Complexes","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Bo Yang, Thomas A. Manz","submitted_at":"2015-12-30T18:13:52Z","abstract_excerpt":"We used density functional theory to computationally design a Zr organometallic catalyst for selectively oxidizing substrates using molecular oxygen as oxidant without coreductant. Each selective oxidation cycle involves four general steps: (a) a peroxo or weakly adsorbed O2 group releases an O atom to substrate to form substrate oxide and an oxo group, (b) an oxygen molecule adds to the oxo group to generate an eta2-ozone group, (c) the eta2-ozone group rearranges to form an eta3-ozone group, and (d) the eta3-ozone group releases an O atom to substrate to form substrate oxide and regenerate t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1512.09372","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":"2026-05-18T01:23:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"iiLYoKhW0UFLXvF+lZifuDQjd0QCsV+OkR+k9jbZSlLY2/+mXXsMG6jc+DhI0gfJQgoL8woWUQH3n/ElLFeJCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-09T09:58:24.352605Z"},"content_sha256":"7673ff50aacd412cedde0a90e9f2c1ee3b8d1cf1a7eb33c7de5ce3b7edf8f2f7","schema_version":"1.0","event_id":"sha256:7673ff50aacd412cedde0a90e9f2c1ee3b8d1cf1a7eb33c7de5ce3b7edf8f2f7"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/ORQO6QC75P4XDH4FEARUWY7H3R/bundle.json","state_url":"https://pith.science/pith/ORQO6QC75P4XDH4FEARUWY7H3R/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/ORQO6QC75P4XDH4FEARUWY7H3R/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":"2026-06-09T09:58:24Z","links":{"resolver":"https://pith.science/pith/ORQO6QC75P4XDH4FEARUWY7H3R","bundle":"https://pith.science/pith/ORQO6QC75P4XDH4FEARUWY7H3R/bundle.json","state":"https://pith.science/pith/ORQO6QC75P4XDH4FEARUWY7H3R/state.json","well_known_bundle":"https://pith.science/.well-known/pith/ORQO6QC75P4XDH4FEARUWY7H3R/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2015:ORQO6QC75P4XDH4FEARUWY7H3R","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":"85bc9ecf8450c9ebedb7b7d1bd68b148525b231946f28c761596ab8a9282f294","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-12-30T18:13:52Z","title_canon_sha256":"330d7dc77da0865972996cc130b33085df28ff29416bef09de3103ef0ec6b05b"},"schema_version":"1.0","source":{"id":"1512.09372","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1512.09372","created_at":"2026-05-18T01:23:32Z"},{"alias_kind":"arxiv_version","alias_value":"1512.09372v1","created_at":"2026-05-18T01:23:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1512.09372","created_at":"2026-05-18T01:23:32Z"},{"alias_kind":"pith_short_12","alias_value":"ORQO6QC75P4X","created_at":"2026-05-18T12:29:34Z"},{"alias_kind":"pith_short_16","alias_value":"ORQO6QC75P4XDH4F","created_at":"2026-05-18T12:29:34Z"},{"alias_kind":"pith_short_8","alias_value":"ORQO6QC7","created_at":"2026-05-18T12:29:34Z"}],"graph_snapshots":[{"event_id":"sha256:7673ff50aacd412cedde0a90e9f2c1ee3b8d1cf1a7eb33c7de5ce3b7edf8f2f7","target":"graph","created_at":"2026-05-18T01:23:32Z","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 used density functional theory to computationally design a Zr organometallic catalyst for selectively oxidizing substrates using molecular oxygen as oxidant without coreductant. Each selective oxidation cycle involves four general steps: (a) a peroxo or weakly adsorbed O2 group releases an O atom to substrate to form substrate oxide and an oxo group, (b) an oxygen molecule adds to the oxo group to generate an eta2-ozone group, (c) the eta2-ozone group rearranges to form an eta3-ozone group, and (d) the eta3-ozone group releases an O atom to substrate to form substrate oxide and regenerate t","authors_text":"Bo Yang, Thomas A. Manz","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-12-30T18:13:52Z","title":"Computationally Designed Zirconium Organometallic Catalyst for Direct Epoxidation of Alkenes without Allylic H Atoms: Aromatic Linkage Eliminates Formation of Inert Octahedral Complexes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1512.09372","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":"sha256:03c3a34cca419cb54d6f84975d7d0dade57b195b13d40024ddf15b83bfcda774","target":"record","created_at":"2026-05-18T01:23:32Z","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":"85bc9ecf8450c9ebedb7b7d1bd68b148525b231946f28c761596ab8a9282f294","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-12-30T18:13:52Z","title_canon_sha256":"330d7dc77da0865972996cc130b33085df28ff29416bef09de3103ef0ec6b05b"},"schema_version":"1.0","source":{"id":"1512.09372","kind":"arxiv","version":1}},"canonical_sha256":"7460ef405febf9719f8520234b63e7dc4327d3c597d8e94d4d0bd706ebd92190","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7460ef405febf9719f8520234b63e7dc4327d3c597d8e94d4d0bd706ebd92190","first_computed_at":"2026-05-18T01:23:32.523405Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:23:32.523405Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"jh/kfYNb9pTorlVUpzXzb+dHWKzmoRWSx50nVhmBZvuB62/TeQPESXVvmz6W8XgA593yEEDCGfn5JnwlI4CLDQ==","signature_status":"signed_v1","signed_at":"2026-05-18T01:23:32.524124Z","signed_message":"canonical_sha256_bytes"},"source_id":"1512.09372","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:03c3a34cca419cb54d6f84975d7d0dade57b195b13d40024ddf15b83bfcda774","sha256:7673ff50aacd412cedde0a90e9f2c1ee3b8d1cf1a7eb33c7de5ce3b7edf8f2f7"],"state_sha256":"e906aad9389348a370a9476d18d46806f0a6d61d77fdf18efd2b355071bd62b0"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"WSm27P2C5odV38Jy3lf3WrAqDM0aXYuZ4DxUWQlNz9GWobwVx79uJQmDzhv1l3APCgllZ/rUWajs62KMV1FMAA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-09T09:58:24.355376Z","bundle_sha256":"63aebb024f8571f4c868f8508bce59b7f76549fba003856c6d0b4d4237c051d0"}}