{"id":"W2999834631","doi":"10.1002/cphc.201901112","title":"Counterion‐Trapped‐Molecules: From High Polarity and Enriched IR Spectra to Induced Isomerization","year":2020,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ontario Tech University","funders":"Engineering and Physical Sciences Research Council; Agence Nationale de la Recherche","keywords":"Isomerization; Counterion; Chemistry; Molecule; Halide; Metastability; Photochemistry; Intermolecular force; Chemical physics; Alkali metal; Ion; Computational chemistry; Inorganic chemistry; 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":[0.0001716512,0.0003348926,0.0003852505,0.0001758166,0.0002727367,0.000426086,0.000682619,0.000341372,0.002724416],"category_scores_gemma":[0.0003875757,0.0001684678,0.0002697547,0.0002876425,0.0003247348,0.0003905188,0.000298415,0.0004690896,0.0001278795],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003284023,"about_ca_system_score_gemma":0.0003198503,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001417022,"about_ca_topic_score_gemma":0.001590913,"domain_scores_codex":[0.9999356,0.00001171635,0.000001788063,0.00001110477,0.00001620115,0.00002355471],"domain_scores_gemma":[0.9998766,0.00006370554,0.00001822106,0.00001578616,0.000014405,0.00001119639],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000882474,0.0005817531,0.01227914,0.001268086,0.0002793045,0.001167012,0.00067993,0.6639387,0.2600512,0.03223599,0.001615406,0.02502095],"study_design_scores_gemma":[0.0002827915,0.0006558897,0.005251118,0.000023788,0.000117748,0.0001502648,0.000279337,0.8715658,0.1143562,0.005341347,0.001921506,0.0000542214],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944009,0.0001024572,0.002748547,0.00005165421,0.000003775102,0.0000117375,0.00009721504,0.00005667967,0.002527115],"genre_scores_gemma":[0.9976926,0.00009246243,0.001835396,0.00001467062,0.000002381066,0.00001716362,0.0001059683,0.00002440838,0.0002150335],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002724416,"threshold_uncertainty_score":0.009114027,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01403677359951785,"score_gpt":0.2323375292792406,"score_spread":0.2183007556797228,"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."}}