{"id":"W4389948517","doi":"10.1063/5.0173015","title":"New assignments of Raman spectra of tetrahedra and the effects of electronegativity. I. P4O10 and Si-containing molecules","year":2023,"lang":"en","type":"article","venue":"AIP Advances","topic":"Glass properties and applications","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Western University","funders":"RES’EAU-WaterNET; Natural Sciences and Engineering Research Council of Canada","keywords":"Electronegativity; Raman spectroscopy; Bond length; Chemistry; Spectral line; Crystallography; Density functional theory; Tetrahedron; Tetramer; Molecular geometry; Molecule; Computational chemistry; Analytical Chemistry (journal); Physics; Crystal structure","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":[0.0003470481,0.0005873661,0.0003160347,0.0005055939,0.0004573796,0.0004887569,0.00117788,0.0006930227,0.005525108],"category_scores_gemma":[0.0004820599,0.0004287378,0.0004292531,0.0004734121,0.0006739246,0.0007871707,0.0005414609,0.0008789712,0.000314458],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006952914,"about_ca_system_score_gemma":0.000323266,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009972949,"about_ca_topic_score_gemma":0.002264685,"domain_scores_codex":[0.9997967,0.00003323021,0.000008445906,0.00002888997,0.00009500149,0.00003775876],"domain_scores_gemma":[0.9997947,0.00007101054,0.00003090297,0.00003614525,0.00004665956,0.00002070327],"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":[0.0007846114,0.0004082091,0.00580157,0.001311859,0.000113353,0.0005861457,0.0006105335,0.110693,0.7375254,0.06719135,0.006829182,0.06814484],"study_design_scores_gemma":[0.0002841605,0.0006535282,0.006878665,0.0001133812,0.00006178615,0.0003945158,0.0005145663,0.6220642,0.3323848,0.02531408,0.01121224,0.0001241564],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9477398,0.0005736302,0.03301933,0.0003957535,0.0001207958,0.00004256068,0.0004764486,0.0006505664,0.01698116],"genre_scores_gemma":[0.9726014,0.0003527983,0.02332253,0.0001568372,0.00001576567,0.00008516868,0.0006705165,0.0001825252,0.002612578],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005525108,"threshold_uncertainty_score":0.01848334,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005565050546645936,"score_gpt":0.2329660515859061,"score_spread":0.2274010010392602,"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."}}