{"id":"W2473202533","doi":"10.1139/cjp-2016-0252","title":"Experimental and theoretical investigation of molecular structure, vibrational analysis, chemical reactivity, electrostatic potential of benzyl methacrylate monomer and homopolymer","year":2016,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Polymer Synthesis and Characterization","field":"Materials Science","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Bitlis Eren Üniversitesi","keywords":"Monomer; Basis set; Molecular orbital; Mulliken population analysis; Computational chemistry; Density functional theory; Polymer; Methacrylate; Molecular geometry; Molecule; Physical chemistry; Materials science; Chemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001104285,0.00007885625,0.0002218379,0.0000982989,0.00002646691,0.00002202743,0.00006851344,0.00004281104,0.0001047831],"category_scores_gemma":[0.00002327057,0.00005914467,0.00005177837,0.0001124077,0.0003906358,0.0002321637,0.00001100431,0.00004215195,1.460621e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002436341,"about_ca_system_score_gemma":0.0002021267,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001500787,"about_ca_topic_score_gemma":0.00001899341,"domain_scores_codex":[0.9993075,0.00006536924,0.0002562122,0.00009708367,0.0001604951,0.0001133171],"domain_scores_gemma":[0.9993494,0.00003945918,0.0002797119,0.00007182784,0.00008052655,0.0001791364],"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":[0.00001733932,0.000007504205,0.001071412,0.000005902419,0.00006102779,0.000001987844,0.0001618488,0.000003575003,0.9869955,0.01099025,0.000001688327,0.0006819427],"study_design_scores_gemma":[0.0001682667,0.00005020115,0.007001797,0.00001974815,0.0001430508,0.00001085877,0.00002181751,0.0001176553,0.9857473,0.006655423,5.2127e-7,0.0000633844],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9916869,0.0002359577,0.00777817,0.0001393953,0.00003719064,0.00003011089,0.00008577064,9.215208e-7,0.000005543381],"genre_scores_gemma":[0.9993319,0.000004374156,0.0005809827,0.00002847895,0.00004191509,5.107601e-7,0.000004573513,0.000006596576,7.018588e-7],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007644927,"threshold_uncertainty_score":0.241185,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004722504362205453,"score_gpt":0.2009444954450962,"score_spread":0.1962219910828908,"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."}}