{"id":"W2107892691","doi":"10.6000/1929-5030.2012.01.02.2","title":"The Interaction Nature of Br-with 1-(4-Butylamino)-3-Methyl Imidazolium","year":2012,"lang":"en","type":"article","venue":"Journal of Applied Solution Chemistry and Modeling","topic":"Ionic liquids properties and applications","field":"Chemical Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Fundamental Research Funds for the Central Universities","keywords":"Natural bond orbital; Chemistry; Hydrogen bond; Interaction energy; Ion; Superposition principle; Computational chemistry; Ionic bonding; Potential energy; Chemical physics; Crystallography; Atomic physics; Molecule; Physics; Density functional theory; Quantum mechanics; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002506988,0.00008861138,0.0001277684,0.00001030756,0.0001276566,0.00001531615,0.00009856009,0.0001161543,0.000008027977],"category_scores_gemma":[0.00002009405,0.00005473851,0.00004736571,0.00005707678,0.0000372936,0.0001145878,0.00003161121,0.0004662304,5.035483e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004596675,"about_ca_system_score_gemma":0.00002576586,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002217451,"about_ca_topic_score_gemma":1.308002e-7,"domain_scores_codex":[0.9993036,0.000003381668,0.0003108996,0.00006565983,0.0001506626,0.0001657427],"domain_scores_gemma":[0.9994527,0.00004818777,0.0002014911,0.0001040866,0.0001214648,0.00007210478],"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":[0.0001953733,0.000039594,0.000005795495,0.00006152683,0.00005896396,1.187459e-7,0.0002811297,0.03275831,0.9630033,0.001733757,0.00005033482,0.001811801],"study_design_scores_gemma":[0.0004085377,0.00001471476,0.000003733016,0.00007666471,0.00007061892,0.00006381801,0.00121865,0.2529566,0.7426434,0.0002101348,0.002215761,0.0001173605],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9409029,0.001105,0.0547525,0.0002770784,0.00008740946,0.00005367101,0.000001625072,0.00001249981,0.002807315],"genre_scores_gemma":[0.9980344,0.0001801084,0.001303593,0.00001883235,0.0003954193,0.000005284295,0.000001910602,0.00001013655,0.00005036956],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2203599,"threshold_uncertainty_score":0.2232172,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01406898568321819,"score_gpt":0.2469686464736217,"score_spread":0.2328996607904035,"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."}}