{"id":"W1982004594","doi":"10.1063/1.1806421","title":"Mechanism for the formation of gas-phase protonated alcohol-ether adducts by VUV laser ionization and density-functional calculations","year":2004,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Ether; Protonation; Diethyl ether; Tetrahydrofuran; Photochemistry; Alcohol; Adduct; Methanol; Dimethyl ether; Mass spectrometry; Ion; Organic chemistry; Solvent; Chromatography","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":[0.0004213465,0.0005339556,0.000552187,0.0007044066,0.0007733775,0.0005210176,0.001563304,0.0007454387,0.004492874],"category_scores_gemma":[0.0003967614,0.0003457969,0.0005501765,0.0003580303,0.0004968825,0.0007056557,0.0005165464,0.0005030492,0.0004825353],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008207338,"about_ca_system_score_gemma":0.001034318,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003044426,"about_ca_topic_score_gemma":0.00213684,"domain_scores_codex":[0.9998735,0.00001996008,0.000005300105,0.000009979865,0.00004919313,0.00004209027],"domain_scores_gemma":[0.9998865,0.00004096495,0.0000191312,0.000013312,0.00002630005,0.00001366316],"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":[0.0003773505,0.0002242109,0.004306571,0.0007169244,0.00009519338,0.001557042,0.0003985915,0.6329085,0.04667777,0.2887351,0.003549451,0.02045329],"study_design_scores_gemma":[0.00005664483,0.00003162329,0.0008618639,0.00001712737,0.0000132322,0.0001515552,0.00005764736,0.9674265,0.007767687,0.02284646,0.0007433817,0.00002624637],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7965423,0.001056396,0.1705611,0.001062517,0.0001461745,0.0004161575,0.0007175227,0.0007811963,0.02871666],"genre_scores_gemma":[0.9816964,0.0004082377,0.01467768,0.00008512645,0.00001517412,0.000190755,0.0001878752,0.00004989124,0.00268883],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004492874,"threshold_uncertainty_score":0.01503021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01740540333754366,"score_gpt":0.2674433408419462,"score_spread":0.2500379375044025,"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."}}