{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2021:6GGPHZR75YSAW4EM76D4NIEC5R","short_pith_number":"pith:6GGPHZR7","schema_version":"1.0","canonical_sha256":"f18cf3e63fee240b708cff87c6a082ec51818b955b54feb0a6124f41538596ca","source":{"kind":"arxiv","id":"2101.08457","version":1},"attestation_state":"computed","paper":{"title":"A molecular dynamics simulation study on the frustrated Lewis pairs in ionic liquids","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Lei Liu, Tianhao Yu, Weizhen Zhao, Xiaojing Wang, Xiaoqing Liu","submitted_at":"2021-01-21T06:20:25Z","abstract_excerpt":"Steric hindered frustrated Lewis pairs (FLPs) have been shown to activate hydrogen molecules, and their reactivity is strongly determined by the geometric parameters of the Lewis acid s and bases. A recent experimental study showed that ionic liquids (ILs) could largely improve the effective configuration of FLPs. However, the detailed mechanistic profile is still unclear. Herein, we performed a molecular dynamics (MD) simulations, aimi ng to reveal the effects of ILs on the structures of FLPs, and to present a rule for selecting more efficient reaction media. For this purpose, mixture systems"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2101.08457","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-01-21T06:20:25Z","cross_cats_sorted":[],"title_canon_sha256":"b22ff1482b3f3417bfcbbe0bb4ceb049d55e56284f06c7d8d87e690deabf76ee","abstract_canon_sha256":"c15e4e62e4f13d7d32db36ef2adebe0a73316eb09a3673c0f8c96d199113bc20"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T02:08:35.500645Z","signature_b64":"R7bIWieaK4ObdZcNeNP5AnLO1XBkb0vQ9LizzL/gOOoASx9aadwa7cfb0LjWeWl9HVMvhW9e5ENe5Uc04Fl6Cw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f18cf3e63fee240b708cff87c6a082ec51818b955b54feb0a6124f41538596ca","last_reissued_at":"2026-07-05T02:08:35.499947Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T02:08:35.499947Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"A molecular dynamics simulation study on the frustrated Lewis pairs in ionic liquids","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Lei Liu, Tianhao Yu, Weizhen Zhao, Xiaojing Wang, Xiaoqing Liu","submitted_at":"2021-01-21T06:20:25Z","abstract_excerpt":"Steric hindered frustrated Lewis pairs (FLPs) have been shown to activate hydrogen molecules, and their reactivity is strongly determined by the geometric parameters of the Lewis acid s and bases. A recent experimental study showed that ionic liquids (ILs) could largely improve the effective configuration of FLPs. However, the detailed mechanistic profile is still unclear. Herein, we performed a molecular dynamics (MD) simulations, aimi ng to reveal the effects of ILs on the structures of FLPs, and to present a rule for selecting more efficient reaction media. For this purpose, mixture systems"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2101.08457","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2101.08457/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2101.08457","created_at":"2026-07-05T02:08:35.500013+00:00"},{"alias_kind":"arxiv_version","alias_value":"2101.08457v1","created_at":"2026-07-05T02:08:35.500013+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2101.08457","created_at":"2026-07-05T02:08:35.500013+00:00"},{"alias_kind":"pith_short_12","alias_value":"6GGPHZR75YSA","created_at":"2026-07-05T02:08:35.500013+00:00"},{"alias_kind":"pith_short_16","alias_value":"6GGPHZR75YSAW4EM","created_at":"2026-07-05T02:08:35.500013+00:00"},{"alias_kind":"pith_short_8","alias_value":"6GGPHZR7","created_at":"2026-07-05T02:08:35.500013+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R","json":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R.json","graph_json":"https://pith.science/api/pith-number/6GGPHZR75YSAW4EM76D4NIEC5R/graph.json","events_json":"https://pith.science/api/pith-number/6GGPHZR75YSAW4EM76D4NIEC5R/events.json","paper":"https://pith.science/paper/6GGPHZR7"},"agent_actions":{"view_html":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R","download_json":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R.json","view_paper":"https://pith.science/paper/6GGPHZR7","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2101.08457&json=true","fetch_graph":"https://pith.science/api/pith-number/6GGPHZR75YSAW4EM76D4NIEC5R/graph.json","fetch_events":"https://pith.science/api/pith-number/6GGPHZR75YSAW4EM76D4NIEC5R/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R/action/timestamp_anchor","attest_storage":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R/action/storage_attestation","attest_author":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R/action/author_attestation","sign_citation":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R/action/citation_signature","submit_replication":"https://pith.science/pith/6GGPHZR75YSAW4EM76D4NIEC5R/action/replication_record"}},"created_at":"2026-07-05T02:08:35.500013+00:00","updated_at":"2026-07-05T02:08:35.500013+00:00"}