{"id":"W7024949320","doi":"","title":"Towards understanding of magnetic interactions within a series of tetrathiafulvalene- conjugated- verdazyl diradical cation system: a density funtional theory study","year":2010,"lang":"en","type":"article","venue":"Repositori UJI (Universitat Jaume I)","topic":"German Social Sciences and History","field":"Social Sciences","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Generalitat Valenciana; Universitat Jaume I; Ministerio de Economía y Competitividad","keywords":"Diradical; Intramolecular force; Ferromagnetism; Spin polarization; Antiferromagnetism; Density functional theory; Polarization (electrochemistry); Conjugated system; Dihedral angle","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001859561,0.0002737819,0.0004195925,0.0002444707,0.0004212369,0.0002453861,0.0006095486,0.0004608879,0.001509522],"category_scores_gemma":[0.000133847,0.0001403232,0.0002623904,0.0001696028,0.0003266085,0.0004690163,0.0002322192,0.0005866563,0.0001213468],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003715951,"about_ca_system_score_gemma":0.0002970998,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001014894,"about_ca_topic_score_gemma":0.001508542,"domain_scores_codex":[0.9999533,0.000007753342,0.000001962279,0.000008032936,0.00001524956,0.0000137184],"domain_scores_gemma":[0.9999427,0.00002156894,0.000009632989,0.000007560205,0.00001141976,0.000007166013],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002469901,0.0004368995,0.001931072,0.001439321,0.00008191154,0.0009163728,0.0005597008,0.0881646,0.8351429,0.05622556,0.0006407113,0.0142139],"study_design_scores_gemma":[0.0000646572,0.0008942456,0.003926854,0.00006705132,0.0000892557,0.0003149721,0.0004626117,0.7909707,0.1925852,0.006304054,0.004259845,0.00006044465],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9866161,0.0006276138,0.009686548,0.0001419475,0.00001523932,0.00002277548,0.00004504693,0.00003101252,0.002813714],"genre_scores_gemma":[0.9926368,0.0007424079,0.00566255,0.00002407325,0.000006139805,0.00003626648,0.0001027745,0.000008004936,0.0007809099],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001509522,"threshold_uncertainty_score":0.005049825,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02372131151034057,"score_gpt":0.2645808711502878,"score_spread":0.2408595596399473,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}