{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2018:MTBBFJNJCHXNS5DM7UEK723U7P","short_pith_number":"pith:MTBBFJNJ","schema_version":"1.0","canonical_sha256":"64c212a5a911eed9746cfd08afeb74fbd6b558d509dc70b2625f7877661b0f4e","source":{"kind":"arxiv","id":"1810.02168","version":2},"attestation_state":"computed","paper":{"title":"A Molecular Density Functional Theory Approach to Electron Transfer Reactions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Benjamin Rotenberg, Daniel Borgis, Guillaume Jeanmairet, Mathieu Salanne, Maximilien Levesque","submitted_at":"2018-10-04T12:18:53Z","abstract_excerpt":"Beyond the dielectric continuum description initiated by Marcus theory, the nowadays standard theoretical approach to study electron transfer (ET) reactions in solution or at interfaces is to use classical force field or ab initio Molecular Dynamics simulations. We propose here an alternative method based on liquid-state theory, namely molecular density functional theory, which is numerically much more efficient than simulations while still retaining the molecular nature of the solvent. We begin by reformulating molecular ET theory in a density functional language and show how to compute the v"},"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":"1810.02168","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-04T12:18:53Z","cross_cats_sorted":[],"title_canon_sha256":"9ae2caa2963a49ba4cb687ec45211bc1b4152b8ec1ea1918c305f5c7ef0ecd3c","abstract_canon_sha256":"b38843ed83179a83d9cf4b73fbee716d986a3695c2fa2129855087469def2128"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:58:30.401908Z","signature_b64":"iMOC2LEThx7UijPpblZv/aMrb9WMwbmAmyMeWqMNYW0kQTTplTTLBkErOZYHjayjKgoPUXZBc9mWH9J6ZgZ0DQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"64c212a5a911eed9746cfd08afeb74fbd6b558d509dc70b2625f7877661b0f4e","last_reissued_at":"2026-05-17T23:58:30.401424Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:58:30.401424Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"A Molecular Density Functional Theory Approach to Electron Transfer Reactions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Benjamin Rotenberg, Daniel Borgis, Guillaume Jeanmairet, Mathieu Salanne, Maximilien Levesque","submitted_at":"2018-10-04T12:18:53Z","abstract_excerpt":"Beyond the dielectric continuum description initiated by Marcus theory, the nowadays standard theoretical approach to study electron transfer (ET) reactions in solution or at interfaces is to use classical force field or ab initio Molecular Dynamics simulations. We propose here an alternative method based on liquid-state theory, namely molecular density functional theory, which is numerically much more efficient than simulations while still retaining the molecular nature of the solvent. We begin by reformulating molecular ET theory in a density functional language and show how to compute the v"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1810.02168","kind":"arxiv","version":2},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1810.02168","created_at":"2026-05-17T23:58:30.401504+00:00"},{"alias_kind":"arxiv_version","alias_value":"1810.02168v2","created_at":"2026-05-17T23:58:30.401504+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1810.02168","created_at":"2026-05-17T23:58:30.401504+00:00"},{"alias_kind":"pith_short_12","alias_value":"MTBBFJNJCHXN","created_at":"2026-05-18T12:32:40.477152+00:00"},{"alias_kind":"pith_short_16","alias_value":"MTBBFJNJCHXNS5DM","created_at":"2026-05-18T12:32:40.477152+00:00"},{"alias_kind":"pith_short_8","alias_value":"MTBBFJNJ","created_at":"2026-05-18T12:32:40.477152+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/MTBBFJNJCHXNS5DM7UEK723U7P","json":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P.json","graph_json":"https://pith.science/api/pith-number/MTBBFJNJCHXNS5DM7UEK723U7P/graph.json","events_json":"https://pith.science/api/pith-number/MTBBFJNJCHXNS5DM7UEK723U7P/events.json","paper":"https://pith.science/paper/MTBBFJNJ"},"agent_actions":{"view_html":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P","download_json":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P.json","view_paper":"https://pith.science/paper/MTBBFJNJ","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1810.02168&json=true","fetch_graph":"https://pith.science/api/pith-number/MTBBFJNJCHXNS5DM7UEK723U7P/graph.json","fetch_events":"https://pith.science/api/pith-number/MTBBFJNJCHXNS5DM7UEK723U7P/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P/action/timestamp_anchor","attest_storage":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P/action/storage_attestation","attest_author":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P/action/author_attestation","sign_citation":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P/action/citation_signature","submit_replication":"https://pith.science/pith/MTBBFJNJCHXNS5DM7UEK723U7P/action/replication_record"}},"created_at":"2026-05-17T23:58:30.401504+00:00","updated_at":"2026-05-17T23:58:30.401504+00:00"}