{"id":"W2163398637","doi":"10.1021/jp0625309","title":"Pointers toward the Occurrence of C−F···F−C Interaction:  Experimental Charge Density Analysis of 1-(4-Fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4<i>H-</i>indol-4-one and 1-(4-Fluorophenyl)-6-methoxy-2-phenyl-1,2,3,4-tetrahydroisoquinoline","year":2006,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":102,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"","keywords":"Molecule; Crystallography; Intermolecular force; Electron density; Atoms in molecules; Chemistry; Density functional theory; Crystal structure; Stereochemistry; Physics; Electron; Computational chemistry","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":[0.0002774672,0.000222812,0.0002247273,0.0004879092,0.0004735078,0.0003314682,0.0009901362,0.0004948824,0.002830961],"category_scores_gemma":[0.0007401028,0.0001738631,0.0001604589,0.0004882723,0.0009595681,0.0003604239,0.0002244829,0.0004923152,0.0001151051],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004679493,"about_ca_system_score_gemma":0.0001561466,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002679894,"about_ca_topic_score_gemma":0.001820587,"domain_scores_codex":[0.9998361,0.00002348244,0.00000616043,0.00003325416,0.00006326734,0.00003770512],"domain_scores_gemma":[0.9995981,0.0001855857,0.00006569304,0.00004547595,0.00007689661,0.00002838581],"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":[0.0003972084,0.00008107882,0.007343922,0.0001925643,0.00003424372,0.0003598639,0.0003435296,0.001877321,0.9800525,0.00325936,0.0003401928,0.005718301],"study_design_scores_gemma":[0.0001193702,0.0006424242,0.05036606,0.0000306579,0.00006290941,0.001000044,0.0005317086,0.02020598,0.923458,0.001721248,0.001787001,0.00007454635],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964669,0.0004980794,0.001315297,0.00006549506,0.000005350838,0.000007178022,0.00009192838,0.00002755953,0.001522208],"genre_scores_gemma":[0.9993858,0.00008394814,0.000371327,0.00001014366,0.000002017615,0.000004658098,0.00007402732,0.000003514363,0.00006463056],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002830961,"threshold_uncertainty_score":0.009470463,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01293880989575968,"score_gpt":0.2602793722401281,"score_spread":0.2473405623443684,"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."}}