{"id":"W4297830445","doi":"10.26434/chemrxiv-2022-6096h","title":"Influence of the Hydrogen Bonding Environment on Vibrational Coupling in the Electrical Double Layerat the Silica/Aqueous Interface","year":2022,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Technische Universität München; Deutsche Forschungsgemeinschaft; University of Alberta","keywords":"Intermolecular force; Rotational–vibrational coupling; Chemistry; Spectral line; Hydrogen bond; Infrared spectroscopy; Molecular vibration; Aqueous solution; Electrokinetic phenomena; Chemical physics; Coupling (piping); Molecular physics; Analytical Chemistry (journal); Molecule; Materials science; Physical chemistry; Organic chemistry; Physics","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":[0.0001486364,0.0002505195,0.0001281637,0.0001761469,0.0001410586,0.0002553222,0.0001453443,0.0001555576,0.0008963327],"category_scores_gemma":[0.0003660884,0.0001683467,0.00009251213,0.000107632,0.0003765566,0.0003412648,0.0003231803,0.0002414507,0.0001051799],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001048389,"about_ca_system_score_gemma":0.00009047051,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004680235,"about_ca_topic_score_gemma":0.000465726,"domain_scores_codex":[0.999899,0.00001375548,0.000003955246,0.00002686212,0.00003304131,0.00002340043],"domain_scores_gemma":[0.9998765,0.00005469348,0.00002960585,0.000006289369,0.00001490048,0.00001800782],"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":[0.00003739298,0.000007945784,0.0005955599,0.00002459634,0.000004299866,0.0000262042,0.00002902087,0.000202341,0.9978997,0.00005069102,0.00001346071,0.001108814],"study_design_scores_gemma":[0.00001248139,0.0001257925,0.01960283,0.000006065194,0.00001102203,0.00005618374,0.0001019144,0.006588581,0.9729945,0.0001414633,0.0003467662,0.00001226012],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979746,0.0002639311,0.001083713,0.00002802033,0.00000594436,0.000004506228,0.00003608148,0.00001833155,0.0005848516],"genre_scores_gemma":[0.999175,0.0001647659,0.0004254702,0.00001821105,0.00000304726,0.00000399666,0.00003136631,0.000005876924,0.0001722446],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008963327,"threshold_uncertainty_score":0.002998531,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0151978743128398,"score_gpt":0.2619473605431651,"score_spread":0.2467494862303253,"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."}}