{"id":"W2053811357","doi":"10.1021/jp0722253","title":"Infrared Multiphoton Dissociation Spectra as a Probe of Ion Molecule Reaction Mechanism:  The Formation of the Protonated Water Dimer via Sequential Bimolecular Reactions with 1,1,3,3−Tetrafluorodimethyl Ether","year":2007,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland; University of Waterloo","funders":"","keywords":"Chemistry; Infrared multiphoton dissociation; Dimer; Water dimer; Protonation; Dissociation (chemistry); Fourier transform ion cyclotron resonance; Molecule; Photochemistry; Ion; Mass spectrometry; Computational chemistry; Physical chemistry; Hydrogen bond; 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":[0.0002344291,0.0003702964,0.0001582901,0.0002457546,0.0002421285,0.0001434272,0.0004662959,0.0004294176,0.002353489],"category_scores_gemma":[0.0002476488,0.0001423091,0.0001483239,0.0001772695,0.0003005109,0.0005337328,0.0003447974,0.000631914,0.0001833571],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003328235,"about_ca_system_score_gemma":0.0001223049,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000428176,"about_ca_topic_score_gemma":0.0003081256,"domain_scores_codex":[0.9998977,0.000009666393,0.000001591391,0.00002758593,0.0000361147,0.0000273501],"domain_scores_gemma":[0.9999129,0.00003875872,0.0000268954,0.000006046547,0.000008661105,0.000006645604],"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":[0.000200378,0.00003637174,0.001314452,0.00007676106,0.00001002347,0.0001303946,0.00008181449,0.0009560163,0.993364,0.0007292936,0.00008640459,0.00301407],"study_design_scores_gemma":[0.000021964,0.0002276413,0.002383974,0.000003239795,0.000007917776,0.0001183335,0.00006165915,0.005923853,0.9903809,0.0002266801,0.000635952,0.000007917732],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9909513,0.0003096954,0.006419423,0.00006912625,0.000009367237,0.00001782478,0.0001391658,0.00005089676,0.002033149],"genre_scores_gemma":[0.9967632,0.000156334,0.002318942,0.00001995032,0.000002834086,0.00001307725,0.0000915863,0.000007089288,0.0006268964],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002353489,"threshold_uncertainty_score":0.007873178,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006649489626946013,"score_gpt":0.2427167261284881,"score_spread":0.2360672365015421,"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."}}