{"doi":"10.1039/d3ra06038a","title":"Molecular orbital and topological electron density study of n → π* interactions: amides and thioamides cases","abstract":"height values for n → π* interactions do not extend beyond 0.025. All the methods used in this work predict that n → π* interaction between pairs of thioamides is stronger than those between amides. However, the electron density topology-based methods were not able to replicate the trends in the relative force of this interaction found in the experimental and NBO results.","journal":"RSC Advances","year":2023,"id":354359,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":7,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9504,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1101498,"name":"Mariana Quesadas-Rojas","orcid":"0000-0003-2081-6595","position":1,"is_corresponding":false},{"id":1101942,"name":"Gumersindo Mirón‐López","orcid":null,"position":2,"is_corresponding":false},{"id":1101499,"name":"David Cáceres‐Castillo","orcid":"0000-0001-9168-8055","position":3,"is_corresponding":false},{"id":1101500,"name":"Rubén M. Carballo","orcid":"0000-0003-4093-6295","position":4,"is_corresponding":false},{"id":1101501,"name":"Gonzalo J. Mena‐Rejón","orcid":"0000-0003-4248-2274","position":5,"is_corresponding":false},{"id":1101502,"name":"Ramiro F. Quijano‐Quiñones","orcid":"0000-0003-2671-8195","position":6,"is_corresponding":false},{"id":1101497,"name":"Flor María Briceño-Vargas","orcid":"0000-0002-6612-7915","position":0,"is_corresponding":true}],"reference_count":33,"raw_metadata":null,"created_at":"2026-07-19T01:13:06.959762Z","pmid":"37901275","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":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}