{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:TCRSXWTQLK3LQNWKL3CPC5LDGX","short_pith_number":"pith:TCRSXWTQ","canonical_record":{"source":{"id":"1804.00784","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-04-03T02:04:05Z","cross_cats_sorted":[],"title_canon_sha256":"027dfc03c78396a44c2a27ab9c8ba8344761a88d0da0a4241464d0be1ad64c6f","abstract_canon_sha256":"fd7e121fcdeb35a40ad321fc725b2a96f503f6a6bd4f02ff15413804ab1e762d"},"schema_version":"1.0"},"canonical_sha256":"98a32bda705ab6b836ca5ec4f1756335d0fdb0ca8de7c3f7ad4caa4fc7d8618e","source":{"kind":"arxiv","id":"1804.00784","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1804.00784","created_at":"2026-05-18T00:19:32Z"},{"alias_kind":"arxiv_version","alias_value":"1804.00784v1","created_at":"2026-05-18T00:19:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1804.00784","created_at":"2026-05-18T00:19:32Z"},{"alias_kind":"pith_short_12","alias_value":"TCRSXWTQLK3L","created_at":"2026-05-18T12:32:53Z"},{"alias_kind":"pith_short_16","alias_value":"TCRSXWTQLK3LQNWK","created_at":"2026-05-18T12:32:53Z"},{"alias_kind":"pith_short_8","alias_value":"TCRSXWTQ","created_at":"2026-05-18T12:32:53Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:TCRSXWTQLK3LQNWKL3CPC5LDGX","target":"record","payload":{"canonical_record":{"source":{"id":"1804.00784","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-04-03T02:04:05Z","cross_cats_sorted":[],"title_canon_sha256":"027dfc03c78396a44c2a27ab9c8ba8344761a88d0da0a4241464d0be1ad64c6f","abstract_canon_sha256":"fd7e121fcdeb35a40ad321fc725b2a96f503f6a6bd4f02ff15413804ab1e762d"},"schema_version":"1.0"},"canonical_sha256":"98a32bda705ab6b836ca5ec4f1756335d0fdb0ca8de7c3f7ad4caa4fc7d8618e","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:19:32.181304Z","signature_b64":"Jhs+qu+TB1HGmL0e79qNdZhxSeaqGB+DPsNNqgzcel6fraTF3Q1wIIbTOyF3XZt+atXgtgBirBhHynQbaygNBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"98a32bda705ab6b836ca5ec4f1756335d0fdb0ca8de7c3f7ad4caa4fc7d8618e","last_reissued_at":"2026-05-18T00:19:32.180797Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:19:32.180797Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1804.00784","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":"2026-05-18T00:19:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"kijnipT8z+rO7rBmH4iuDdr5r97mss6joxckLyOcqEbsL4fN0b77xAqM/N6IzoMYmKs+7TW1DG5Ef4QbeVAyDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-25T08:45:41.928658Z"},"content_sha256":"a55388864ab77eed6da3873912cc628370b10484647795539d2f00b766630ca8","schema_version":"1.0","event_id":"sha256:a55388864ab77eed6da3873912cc628370b10484647795539d2f00b766630ca8"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:TCRSXWTQLK3LQNWKL3CPC5LDGX","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Quinone-based Switches for Candidate Building Blocks of Molecular Junctions with QTAIM and the Stress Tensor","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Herbert Fr\\\"uchtl, Lingling Wang, Samantha Jenkins, Steven R. Kirk, Tanja van Mourik, Tianlv Xu, Yang Ping","submitted_at":"2018-04-03T02:04:05Z","abstract_excerpt":"The current work investigates candidate building blocks based on molecular junctions from hydrogen transfer tautomerization in the benzoquinone-like core of an azophenine molecule with QTAIM and the recently-introduced stress tensor trajectory analysis. We find that in particular the stress tensor trajectories are well suited to describe the mechanism of the switching process. The effects of an Fe-dopant atom coordinated to the quinone ring, as well as F and Cl substitution of different ring-hydrogens, are investigated and the new QTAIM and stress tensor analysis is used to draw conclusions on"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1804.00784","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":"2026-05-18T00:19:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"2GPZ1RqcjUtRzzf8QyVHq7ny8bCmGVVe88Sh0jysxTj2YtZTrfUqQzYSM2hH6e13nJwcE3htn9P13QQ86RfVDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-25T08:45:41.929008Z"},"content_sha256":"483f457569d66e94b25e76242b76d39429cc4b3a76855bef61626127e19743e5","schema_version":"1.0","event_id":"sha256:483f457569d66e94b25e76242b76d39429cc4b3a76855bef61626127e19743e5"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX/bundle.json","state_url":"https://pith.science/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX/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":"2026-06-25T08:45:41Z","links":{"resolver":"https://pith.science/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX","bundle":"https://pith.science/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX/bundle.json","state":"https://pith.science/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX/state.json","well_known_bundle":"https://pith.science/.well-known/pith/TCRSXWTQLK3LQNWKL3CPC5LDGX/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:TCRSXWTQLK3LQNWKL3CPC5LDGX","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":"fd7e121fcdeb35a40ad321fc725b2a96f503f6a6bd4f02ff15413804ab1e762d","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-04-03T02:04:05Z","title_canon_sha256":"027dfc03c78396a44c2a27ab9c8ba8344761a88d0da0a4241464d0be1ad64c6f"},"schema_version":"1.0","source":{"id":"1804.00784","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1804.00784","created_at":"2026-05-18T00:19:32Z"},{"alias_kind":"arxiv_version","alias_value":"1804.00784v1","created_at":"2026-05-18T00:19:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1804.00784","created_at":"2026-05-18T00:19:32Z"},{"alias_kind":"pith_short_12","alias_value":"TCRSXWTQLK3L","created_at":"2026-05-18T12:32:53Z"},{"alias_kind":"pith_short_16","alias_value":"TCRSXWTQLK3LQNWK","created_at":"2026-05-18T12:32:53Z"},{"alias_kind":"pith_short_8","alias_value":"TCRSXWTQ","created_at":"2026-05-18T12:32:53Z"}],"graph_snapshots":[{"event_id":"sha256:483f457569d66e94b25e76242b76d39429cc4b3a76855bef61626127e19743e5","target":"graph","created_at":"2026-05-18T00:19:32Z","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":"The current work investigates candidate building blocks based on molecular junctions from hydrogen transfer tautomerization in the benzoquinone-like core of an azophenine molecule with QTAIM and the recently-introduced stress tensor trajectory analysis. We find that in particular the stress tensor trajectories are well suited to describe the mechanism of the switching process. The effects of an Fe-dopant atom coordinated to the quinone ring, as well as F and Cl substitution of different ring-hydrogens, are investigated and the new QTAIM and stress tensor analysis is used to draw conclusions on","authors_text":"Herbert Fr\\\"uchtl, Lingling Wang, Samantha Jenkins, Steven R. Kirk, Tanja van Mourik, Tianlv Xu, Yang Ping","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-04-03T02:04:05Z","title":"Quinone-based Switches for Candidate Building Blocks of Molecular Junctions with QTAIM and the Stress Tensor"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1804.00784","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:a55388864ab77eed6da3873912cc628370b10484647795539d2f00b766630ca8","target":"record","created_at":"2026-05-18T00:19:32Z","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":"fd7e121fcdeb35a40ad321fc725b2a96f503f6a6bd4f02ff15413804ab1e762d","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-04-03T02:04:05Z","title_canon_sha256":"027dfc03c78396a44c2a27ab9c8ba8344761a88d0da0a4241464d0be1ad64c6f"},"schema_version":"1.0","source":{"id":"1804.00784","kind":"arxiv","version":1}},"canonical_sha256":"98a32bda705ab6b836ca5ec4f1756335d0fdb0ca8de7c3f7ad4caa4fc7d8618e","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"98a32bda705ab6b836ca5ec4f1756335d0fdb0ca8de7c3f7ad4caa4fc7d8618e","first_computed_at":"2026-05-18T00:19:32.180797Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:19:32.180797Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Jhs+qu+TB1HGmL0e79qNdZhxSeaqGB+DPsNNqgzcel6fraTF3Q1wIIbTOyF3XZt+atXgtgBirBhHynQbaygNBw==","signature_status":"signed_v1","signed_at":"2026-05-18T00:19:32.181304Z","signed_message":"canonical_sha256_bytes"},"source_id":"1804.00784","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a55388864ab77eed6da3873912cc628370b10484647795539d2f00b766630ca8","sha256:483f457569d66e94b25e76242b76d39429cc4b3a76855bef61626127e19743e5"],"state_sha256":"f58166f98a2ffdcd5ff94ce6d3072b52a3d2cc01efcacce614d3b1395a2ff999"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"dHmwMSUXXD791pGBIOe1TSnbLLNF+x/sxKY9FExwdsRk9reiY/r8eDi7Nv8gD1NLFNM41o0MIsSrOjxj2hJICQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-25T08:45:41.930981Z","bundle_sha256":"7db148ee1ccc15fbc0e887735657e5266945649124f465f1dfcdc6f5eb8cacd6"}}