{"id":"W2782913987","doi":"10.1039/c7tc04817c","title":"Synergistic steric pairing effects of terfluorenes with ternary side groups on β-conformation transition: experiments and computations","year":2018,"lang":"en","type":"article","venue":"Journal of Materials Chemistry C","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ministry of Education and Child Care","funders":"Natural Science Foundation of Shandong Province; Jilin University; National Natural Science Foundation of China","keywords":"Steric effects; Pairing; Ternary operation; Materials science; Computation; Chemical physics; Polar; Computational chemistry; Crystallography; Stereochemistry; Condensed matter physics; Physics; Mathematics; Chemistry; Computer science; Quantum mechanics; Algorithm","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005079359,0.0004994046,0.0006455898,0.0002712262,0.000479916,0.0003950757,0.0005494614,0.0004041205,0.00530278],"category_scores_gemma":[0.000456713,0.0003048036,0.0002775558,0.000460813,0.000413951,0.0007480811,0.0003783031,0.0004783105,0.000320524],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006395787,"about_ca_system_score_gemma":0.0004779012,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002086339,"about_ca_topic_score_gemma":0.002503332,"domain_scores_codex":[0.9998239,0.00002506972,0.00000810335,0.00003260179,0.00003897944,0.00007137558],"domain_scores_gemma":[0.9996891,0.0001615626,0.00004749149,0.00002573228,0.00004619163,0.00002988562],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.004461475,0.001215808,0.006757948,0.001626135,0.0001759814,0.001600438,0.0008988716,0.3249498,0.5811561,0.04209358,0.003836561,0.03122746],"study_design_scores_gemma":[0.0008593625,0.003656335,0.003209291,0.00009219038,0.0001951452,0.0001354704,0.000492341,0.4670477,0.5160013,0.003747838,0.004409716,0.0001533421],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9943622,0.0003691738,0.00123341,0.00005263299,0.0000133697,0.00001591454,0.0001305335,0.00003817653,0.003784485],"genre_scores_gemma":[0.9983433,0.0003063519,0.0008920872,0.00001183308,0.000005280197,0.00001965554,0.00006129995,0.00001083142,0.0003493325],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00530278,"threshold_uncertainty_score":0.01773959,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03269452514830311,"score_gpt":0.3477351741026932,"score_spread":0.3150406489543901,"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."}}