{"id":"W2083793052","doi":"10.1007/s10870-013-0395-0","title":"Crystal Structure and DFT Studies of the Hydridophosphorane HP(OC6H4NMe)2","year":2013,"lang":"en","type":"article","venue":"Journal of Chemical Crystallography","topic":"Organophosphorus compounds synthesis","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"Simon Fraser University; University of Lethbridge; Trinity Western University; Western University","funders":"","keywords":"Monoclinic crystal system; Crystal structure; Phosphorane; Chemistry; Crystallography; Organometallic chemistry; Density functional theory; Crystal (programming language); Stereochemistry; 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":[0.0001089178,0.0002896357,0.0004360724,0.0002142453,0.0006329562,0.0005113235,0.0007118294,0.0005410967,0.008592201],"category_scores_gemma":[0.0002605481,0.0001888853,0.0001331238,0.0003257726,0.000353995,0.000304138,0.0002770739,0.0006757527,0.0003146215],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005607741,"about_ca_system_score_gemma":0.0006291373,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007995623,"about_ca_topic_score_gemma":0.01282666,"domain_scores_codex":[0.9999218,0.00001142055,0.000002016961,0.000009434769,0.0000357709,0.00001958462],"domain_scores_gemma":[0.9999167,0.00003843704,0.00001151063,0.000006748345,0.00001513734,0.00001143621],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.003511884,0.00134261,0.0174711,0.004492443,0.0003940135,0.005312969,0.001309693,0.3894255,0.2286951,0.1451904,0.1299866,0.07286775],"study_design_scores_gemma":[0.001708467,0.001286815,0.02255271,0.0002476723,0.0001142239,0.001009063,0.001613529,0.8786298,0.0488585,0.01236354,0.03148119,0.0001345628],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.973747,0.001043681,0.0008903512,0.0005955861,0.00005728971,0.00001892245,0.001623351,0.0001104442,0.02191343],"genre_scores_gemma":[0.9953263,0.0004353939,0.001106769,0.00009035742,0.00001492722,0.00003040382,0.001501473,0.00003323867,0.001461165],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008592201,"threshold_uncertainty_score":0.02874374,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00765698752527662,"score_gpt":0.2115853076285322,"score_spread":0.2039283201032556,"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."}}