{"doi":"10.1016/0009-2614(94)01383-7","title":"Theoretical calculations of proton affinities in phenol","abstract":null,"journal":"Chemical Physics Letters","year":1995,"id":43260,"datarank":1.5417505293051044,"base_score":3.58351893845611,"endowment":3.58351893845611,"self_citation_contribution":0.5375278407684165,"citation_network_contribution":1.0042226885366878,"self_endowment_contribution":0.5375278407684165,"citer_contribution":1.0042226885366878,"corpus_percentile":null,"corpus_rank":null,"citation_count":35,"citer_count":21,"citers_with_citation_signal":19,"citers_with_endowment":19,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":48.75,"fair_percentile":44.94283201407212,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":205880,"name":"M. Klessinger","orcid":null,"position":1,"is_corresponding":false},{"id":166551,"name":"Z.B. Maksić","orcid":null,"position":2,"is_corresponding":false},{"id":205879,"name":"M. Eckert-Maksić","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":3.58351893845611,"endowment":3.58351893845611,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"21464855","pmcid":null,"openalex_id":"https://openalex.org/W2091200629","authors":[],"funders":[],"total_grants":0,"fwci":3.5328,"citation_percentile":0.93275958,"influential_citations":1,"citation_trend":[{"year":2012,"count":2},{"year":2013,"count":2},{"year":2019,"count":1}],"oa_status":"closed","license":"https://www.elsevier.com/legal/tdmrep-license","oa_locations":[{"url":"https://api.elsevier.com/content/article/PII:0009261494013837?httpAccept=text/xml","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:0009261494013837?httpAccept=text/plain","host_type":"publisher"},{"url":"https://doi.org/10.1016/0009-2614(94)01383-7","host_type":"journal"}],"fields_of_study":["Spectroscopy and Quantum Chemical Studies","Advanced Chemical Physics Studies","Free Radicals and Antioxidants","Chemistry"],"mesh_terms":[],"keywords":["Protonation","Affinities","Chemistry","Proton affinity","Proton","Computational chemistry","Zero-point energy","Additive function","Basis set","Phenol","Stereochemistry","Density functional theory","Organic chemistry","Ion","Physics","Quantum mechanics"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-14T21:29:10.321511Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":100.0,"fair_a":70.0,"fair_i":0.0,"fair_r":25.0,"fair_zscore":0.3201,"fair_rationale":{"fair_score":48.75,"has_llm":false,"dimensions":{"F":{"name":"Findable","score":100.0,"criteria":[{"key":"f_has_doi","label":"Has a persistent DOI","kind":"deterministic","weight":1.0,"fraction":1.0,"signal":"DOI present","rationale":null},{"key":"f_repository_presence","label":"Indexed in repositories / literature DBs","kind":"deterministic","weight":1.0,"fraction":1.0,"signal":"datacite=0, pmcid=False, pmid=True","rationale":null},{"key":"f_persistent_ids","label":"Resolvable scholarly identifiers (OpenAlex)","kind":"deterministic","weight":0.5,"fraction":1.0,"signal":"OpenAlex id present","rationale":null}]},"A":{"name":"Accessible","score":70.0,"criteria":[{"key":"a_open_access","label":"Open Access / files deposited","kind":"deterministic","weight":1.5,"fraction":0.5,"signal":"files/OA location present but not flagged OA","rationale":null},{"key":"a_retrievable","label":"Free full text retrievable","kind":"deterministic","weight":1.0,"fraction":1.0,"signal":"3 OA location(s)","rationale":null}]},"I":{"name":"Interoperable","score":0.0,"criteria":[{"key":"i_linked_data","label":"Linked datasets / DataCite relations","kind":"deterministic","weight":1.0,"fraction":0.0,"signal":"linked_datasets=0, datacite=0","rationale":null},{"key":"i_standard_ids","label":"References data via standard accessions","kind":"deterministic","weight":1.0,"fraction":0.0,"signal":"accessions=0, trials=0","rationale":null}]},"R":{"name":"Reusable","score":25.0,"criteria":[{"key":"r_license","label":"Clear, open reuse license","kind":"deterministic","weight":1.5,"fraction":0.5,"signal":"license present (https://www.elsevier.com/legal/tdmrep-license)","rationale":null},{"key":"r_downloads","label":"Demonstrated reuse (downloads)","kind":"deterministic","weight":0.5,"fraction":0.0,"signal":"downloads=0","rationale":null},{"key":"r_version","label":"Versioned / maintained","kind":"deterministic","weight":0.5,"fraction":0.0,"signal":"no version chain","rationale":null},{"key":"r_dataset","label":"Classified as a data resource","kind":"deterministic","weight":0.5,"fraction":0.0,"signal":"not a dataset","rationale":null}]}},"suggestions":["Link the underlying datasets via DOIs / DataCite relations.","Reference data using standard accessions (e.g. GEO, PDB, ClinicalTrials.gov).","Maintain explicit versioning for the dataset.","Make the paper/data Open Access or deposit the files in an open repository.","Attach a clear, open reuse license (e.g. CC-BY or CC0)."],"model":null,"agent_version":"fair_agent_v1","fulltext_source":"none"},"fair_model":null,"fair_agent_version":"fair_agent_v1","fair_fulltext_source":"none","fair_has_llm":false,"fair_computed_at":"2026-06-15T01:52:26.055395Z","clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}