{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2020:63IUXXBHA7GEKBJWGG4FWGKT6C","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":"c3ed877556f2f4f1e94c2caada49c9230f71b4ef24649e66d707803053b06828","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2020-07-20T19:48:34Z","title_canon_sha256":"fd36799871d7fce3697ba3bffdd3448d9a88f84f2855540db12feac52de38ad6"},"schema_version":"1.0","source":{"id":"2007.10435","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2007.10435","created_at":"2026-07-05T01:37:42Z"},{"alias_kind":"arxiv_version","alias_value":"2007.10435v1","created_at":"2026-07-05T01:37:42Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2007.10435","created_at":"2026-07-05T01:37:42Z"},{"alias_kind":"pith_short_12","alias_value":"63IUXXBHA7GE","created_at":"2026-07-05T01:37:42Z"},{"alias_kind":"pith_short_16","alias_value":"63IUXXBHA7GEKBJW","created_at":"2026-07-05T01:37:42Z"},{"alias_kind":"pith_short_8","alias_value":"63IUXXBH","created_at":"2026-07-05T01:37:42Z"}],"graph_snapshots":[{"event_id":"sha256:ac97b083bb43287fed45501901a05b2b4ed132eea5c18d5431f2b42e5f71a590","target":"graph","created_at":"2026-07-05T01:37:42Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2007.10435/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"It has recently been demonstrated that N-heterocyclic carbenes (NHCs) form self-assembled monolayers (SAMs) on metal surfaces. Consequently, it is important to both characterize and understand their binding modes to fully exploit NHCs in functional surface systems. To assist with this effort, we have performed {\\it first-principles} total energy calculations for NHCs on Au(111) and simulations of X-ray absorption near edge structure (XANES). The NHCs we have considered are N,N-dimethyl-, N,N-diethyl-, N,N-diisopropylbenzimidazolylidene ($^B$NHC$^X$, with X=Me, Et, and iPr, respectively) and th","authors_text":"Adalberto Fazzio, Alastair B. McLean, Felipe Crasto de Lima, Roberto H. Miwa","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2020-07-20T19:48:34Z","title":"Simulation of XANES spectroscopy and the calculation of total energies for N-heterocyclic carbenes on Au(111)"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2007.10435","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:eb95cc5a4df0a153c5c20e38ada5c8a4089b9ecced78ca05f9c7592b8e2f8778","target":"record","created_at":"2026-07-05T01:37:42Z","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":"c3ed877556f2f4f1e94c2caada49c9230f71b4ef24649e66d707803053b06828","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2020-07-20T19:48:34Z","title_canon_sha256":"fd36799871d7fce3697ba3bffdd3448d9a88f84f2855540db12feac52de38ad6"},"schema_version":"1.0","source":{"id":"2007.10435","kind":"arxiv","version":1}},"canonical_sha256":"f6d14bdc2707cc45053631b85b1953f0bc264fe8bcd7b169c3038f43d9749948","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f6d14bdc2707cc45053631b85b1953f0bc264fe8bcd7b169c3038f43d9749948","first_computed_at":"2026-07-05T01:37:42.954935Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T01:37:42.954935Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Utrd1mZ++pI8lwaTnwb8ULwh9f2g5ueTyNESPSFURU+1O23beUT4TvGAoWLhGBdDlyKyUAaWi7KlQN3ngsLPBA==","signature_status":"signed_v1","signed_at":"2026-07-05T01:37:42.955346Z","signed_message":"canonical_sha256_bytes"},"source_id":"2007.10435","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:eb95cc5a4df0a153c5c20e38ada5c8a4089b9ecced78ca05f9c7592b8e2f8778","sha256:ac97b083bb43287fed45501901a05b2b4ed132eea5c18d5431f2b42e5f71a590"],"state_sha256":"40a4ac01b26ba78229c7a4f5b7b07bc4de7d3069d1bfc3b736182e2766e58771"}