{"id":"W2041181878","doi":"10.1016/j.ssnmr.2012.11.003","title":"Temperature and hydration dependence of proton MAS NMR spectra in MCM-41: Model based on motion induced chemical shift averaging","year":2012,"lang":"en","type":"article","venue":"Solid State Nuclear Magnetic Resonance","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"St Joseph's Health Centre; University of Waterloo","funders":"","keywords":"Silanol; Chemistry; Chemical shift; Proton; Molecule; Hydrogen bond; Proton NMR; Spectral line; NMR spectra database; Nuclear magnetic resonance spectroscopy; Chemical physics; Physical chemistry; Catalysis; Organic chemistry","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":[0.0001724852,0.0002857655,0.0001721599,0.0001579589,0.0001444996,0.0001726922,0.0004643414,0.000317815,0.001597711],"category_scores_gemma":[0.0004598701,0.0001283387,0.000210237,0.000162145,0.000371768,0.0004259887,0.0001663546,0.0002748087,0.0001282086],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003073481,"about_ca_system_score_gemma":0.00032919,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005124891,"about_ca_topic_score_gemma":0.003401497,"domain_scores_codex":[0.9999566,0.000006311155,0.000002099032,0.00001022761,0.00001183739,0.0000129148],"domain_scores_gemma":[0.9999015,0.00003240714,0.00002072868,0.00001335539,0.00001655468,0.00001537295],"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":[0.000741786,0.0001082365,0.001412617,0.000257662,0.00002529193,0.0003556588,0.0002108123,0.1978907,0.7821113,0.01087017,0.0005582356,0.005457618],"study_design_scores_gemma":[0.00001670374,0.0001283422,0.003045805,0.000008594692,0.00001940952,0.00004425571,0.00004794868,0.8900634,0.1045936,0.001589075,0.0004103614,0.00003258274],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907725,0.0002273318,0.00629721,0.0001193881,0.00001579397,0.00001540314,0.0001881515,0.0001000946,0.002264187],"genre_scores_gemma":[0.9984629,0.000111085,0.0008197664,0.000009508277,0.000002093162,0.000005413604,0.00007599904,0.00001450522,0.0004985683],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005124891,"threshold_uncertainty_score":0.01019013,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01093134010066906,"score_gpt":0.2568749989813235,"score_spread":0.2459436588806545,"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."}}