{"id":"W2001052513","doi":"10.1139/v09-072","title":"Binding of polar monomers in the complexes with organometallic ethylene polymerization catalysts — Natural orbitals for chemical valence and energy decomposition analysis","year":2009,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Polymer chemistry; Monomer; Natural bond orbital; Polymerization; Density functional theory; Organic chemistry; Computational chemistry; Polymer","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001379313,0.0003557582,0.000373089,0.0002459145,0.0002665455,0.0003336068,0.000695352,0.0003268447,0.002291272],"category_scores_gemma":[0.0003104912,0.0002297729,0.0001908104,0.0002079755,0.0002062252,0.0002004428,0.0003028362,0.0004570503,0.0002300443],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005269073,"about_ca_system_score_gemma":0.0001559012,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009538653,"about_ca_topic_score_gemma":0.001083248,"domain_scores_codex":[0.9998852,0.00001331562,0.000005283825,0.00001810564,0.00004640992,0.00003176284],"domain_scores_gemma":[0.9999262,0.00003071053,0.00001155522,0.000006915121,0.00001570253,0.000008889773],"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":[0.001025892,0.0003020607,0.004019733,0.0009992851,0.0001179008,0.0004776454,0.0004857698,0.05262867,0.9062688,0.01318913,0.0007956275,0.01968956],"study_design_scores_gemma":[0.0001085335,0.0006314559,0.006440825,0.00007429254,0.00008887125,0.0003023604,0.0004490618,0.2572673,0.7282893,0.002128087,0.004171084,0.000048771],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919343,0.0004891335,0.0034959,0.00004921973,0.00001091518,0.00001357137,0.00006063155,0.00003352626,0.00391276],"genre_scores_gemma":[0.9980788,0.000203932,0.0008712132,0.00001749483,0.000001914016,0.00002004494,0.00009642181,0.00001211281,0.0006981007],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002291272,"threshold_uncertainty_score":0.007665038,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006318265039156726,"score_gpt":0.2107463777036432,"score_spread":0.2044281126644864,"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."}}