{"id":"W2782548926","doi":"10.1021/acsomega.7b01529","title":"Novel Bonding Mode in Phosphine Haloboranes","year":2018,"lang":"en","type":"article","venue":"ACS Omega","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Prince Edward Island","funders":"Natural Sciences and Engineering Research Council of Canada; Atlantic Canada Opportunities Agency; Canada Foundation for Innovation","keywords":"Lewis acids and bases; Chemistry; Potential energy surface; Chemical physics; Computational chemistry; Potential energy; Maxima and minima; Dative case; Crystallography; Molecule; Physics; Mathematics; Organic chemistry; Atomic physics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00006390734,0.0002528452,0.0001115787,0.0002206491,0.0002808532,0.0003698617,0.000319868,0.0002940656,0.004068532],"category_scores_gemma":[0.0001127157,0.0001955848,0.0001181105,0.00009250842,0.0002437822,0.0003786818,0.0002014293,0.0002950857,0.0002197036],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001745711,"about_ca_system_score_gemma":0.0001323256,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005063994,"about_ca_topic_score_gemma":0.0005851444,"domain_scores_codex":[0.9999788,0.000002666383,6.29092e-7,0.00000482548,0.00000762738,0.000005516792],"domain_scores_gemma":[0.9999804,0.000007459023,0.00000401171,0.000002219528,0.000002226453,0.000003497758],"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":[0.0003053658,0.00008021073,0.003054597,0.0002904344,0.00003506427,0.0008877998,0.0004400598,0.08925357,0.8358594,0.05448224,0.0009027323,0.01440846],"study_design_scores_gemma":[0.0001213096,0.0005536286,0.005903234,0.00002958845,0.00002801717,0.000599835,0.0003967985,0.6013556,0.3562261,0.0291441,0.005564807,0.00007702265],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9774111,0.0001640609,0.01567158,0.0001031576,0.000007933674,0.00001984795,0.0001064841,0.0002190001,0.006296854],"genre_scores_gemma":[0.9961087,0.00008510683,0.002999924,0.000008340704,0.000001392023,0.00001271046,0.00003866107,0.00001944216,0.0007256373],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004068532,"threshold_uncertainty_score":0.01361054,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01389489579607169,"score_gpt":0.275510422178428,"score_spread":0.2616155263823563,"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."}}