{"id":"W2001265046","doi":"10.1039/c1cp21554j","title":"Infrared and microwave spectra of the acetylene–ammonia and carbonyl sulfide–ammonia complexes: a comparative study of a weak C–H⋯N hydrogen bond and an S⋯N bond","year":2011,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Alberta Innovates","keywords":"Chemistry; Hyperfine structure; Ammonia; Carbonyl sulfide; Acetylene; Microwave; Infrared; Bond length; Hydrogen bond; Ab initio; Rotational spectroscopy; Analytical Chemistry (journal); Ab initio quantum chemistry methods; Infrared spectroscopy; Photochemistry; Atomic physics; Molecule; Sulfur; Organic chemistry; Optics","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":[0.0001949257,0.0003214752,0.0003114248,0.0002963329,0.0002174192,0.0002020907,0.0004764091,0.000357351,0.001054501],"category_scores_gemma":[0.0002115357,0.0001766865,0.0001905808,0.000287614,0.0003456144,0.0002651158,0.0002608581,0.0004168572,0.0001338923],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001317923,"about_ca_system_score_gemma":0.00006205789,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003041455,"about_ca_topic_score_gemma":0.0004297848,"domain_scores_codex":[0.9997578,0.00003093958,0.000009535765,0.00003857112,0.0001276843,0.00003546469],"domain_scores_gemma":[0.9998246,0.00004344794,0.00006239961,0.00001173817,0.00003506987,0.00002273546],"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":[0.0001842239,0.00002745416,0.0008177022,0.0001269593,0.00003025256,0.0001113939,0.0001004275,0.0001223278,0.996333,0.0001074657,0.00005985889,0.001978954],"study_design_scores_gemma":[0.00002490349,0.000528266,0.01365744,0.000008458365,0.00004384547,0.0005651495,0.0001584499,0.002037246,0.9803501,0.0001181128,0.002487145,0.00002093603],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958073,0.001292303,0.001362627,0.00003652221,0.00001217074,0.000009346899,0.00006379282,0.00001886417,0.001396962],"genre_scores_gemma":[0.9965727,0.0006234188,0.001643066,0.00003938039,0.00002084919,0.00001143247,0.0002276422,0.000009710404,0.0008518074],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001054501,"threshold_uncertainty_score":0.003527641,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01805759515956857,"score_gpt":0.2554563610553081,"score_spread":0.2373987658957395,"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."}}