{"id":"W6940737135","doi":"10.1021/om1008617.s001","title":"DFT Study of Pd(PMe&lt;sub&gt;3&lt;/sub&gt;)/NMe&lt;sub&gt;3&lt;/sub&gt;-Catalyzed Butadiene Telomerization of Methanol","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Mycorrhizal Fungi and Plant Interactions","field":"Agricultural and Biological Sciences","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"","keywords":"Telomerization; Methoxide; Methanol; Chemoselectivity; 1,3-Butadiene; Catalysis; Nucleophile","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":[0.0001282841,0.0005670468,0.0006946808,0.0002656894,0.0006105495,0.0002759134,0.0007536465,0.000769088,0.007453831],"category_scores_gemma":[0.0002858442,0.0002125566,0.0003565197,0.0002662374,0.0003187326,0.0003754511,0.000373904,0.0005605499,0.0006088362],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006756522,"about_ca_system_score_gemma":0.0005240429,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006666718,"about_ca_topic_score_gemma":0.009847187,"domain_scores_codex":[0.9999164,0.000008883431,0.000002423087,0.00001074553,0.00002849375,0.00003307291],"domain_scores_gemma":[0.9999256,0.00003373398,0.000005740498,0.000008744303,0.00001583567,0.00001029104],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001695773,0.0005552793,0.005747117,0.003229487,0.0002678772,0.003036967,0.0007628698,0.6764162,0.1627249,0.09160151,0.01265594,0.04130604],"study_design_scores_gemma":[0.0001840758,0.0009170088,0.006384262,0.0001060588,0.00007499794,0.0001872857,0.0005203249,0.9456611,0.03570097,0.006231796,0.003975161,0.00005692781],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9731333,0.0008378398,0.004710825,0.0004483019,0.00005549691,0.00004803311,0.0008537994,0.0001042498,0.01980826],"genre_scores_gemma":[0.9966772,0.0004152151,0.0007314999,0.00008988046,0.000009284147,0.00005072307,0.0004376847,0.00001312998,0.001575389],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007453831,"threshold_uncertainty_score":0.02493554,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02380621799679525,"score_gpt":0.2229411029122159,"score_spread":0.1991348849154206,"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."}}